(1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride

C24H33ClF2N2 — CID 161028770

IUPAC(1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride
SMILESC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C1(F)CC1.C[C@@H](N)C1(F)CC1.Cl
InChIInChI=1S/C19H22FN.C5H10FN.ClH/c1-16(19(20)12-13-19)21(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18;1-4(7)5(6)2-3-5;/h2-11,16H,12-15H2,1H3;4H,2-3,7H2,1H3;1H/t16-;4-;/m11./s1
InChIKeyPIRLZBMYEIBHII-OXLIKBQBSA-N
MW422.99 g/mol
LogP5.84
Rot. Bonds7

About (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride

(1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride (PubChem CID 161028770) has the molecular formula C24H33ClF2N2 and a molecular weight of 422.99 g/mol. Its IUPAC name is (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride
PubChem CID161028770
Molecular FormulaC24H33ClF2N2
Molecular Weight422.99 g/mol
Exact Mass422.23
IUPAC Name(1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride
SMILESC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C1(F)CC1.C[C@@H](N)C1(F)CC1.Cl
InChIInChI=1S/C19H22FN.C5H10FN.ClH/c1-16(19(20)12-13-19)21(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18;1-4(7)5(6)2-3-5;/h2-11,16H,12-15H2,1H3;4H,2-3,7H2,1H3;1H/t16-;4-;/m11./s1
InChIKeyPIRLZBMYEIBHII-OXLIKBQBSA-N
XLogP5.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.99
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride with MolForge

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Related Compounds

N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
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CID 120980321
(1S)-N,N-dibenzyl-1-[(2R)-2-butyloxiran-2-yl]ethanamine
CID 10663711
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
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N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
CID 130522033
N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167757145
1-(1-phenylcyclopentyl)ethanamine;hydrochloride
CID 75466877
(2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine
CID 155775630
N-benzyl-N-methyl-1-propan-2-ylcyclopropan-1-amine
CID 164769540
N-benzyl-1-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 176884275

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride (CID 161028770) is (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride is C[C@@H](N(Cc1ccccc1)Cc1ccccc1)C1(F)CC1.C[C@@H](N)C1(F)CC1.Cl.
What is the InChIKey of (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride?
The InChIKey is PIRLZBMYEIBHII-OXLIKBQBSA-N. The full InChI is InChI=1S/C19H22FN.C5H10FN.ClH/c1-16(19(20)12-13-19)21(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18;1-4(7)5(6)2-3-5;/h2-11,16H,12-15H2,1H3;4H,2-3,7H2,1H3;1H/t16-;4-;/m11./s1.
What are the key properties of (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride?
(1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride has a molecular weight of 422.99 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dibenzyl-1-(1-fluorocyclopropyl)ethanamine;(1R)-1-(1-fluorocyclopropyl)ethanamine;hydrochloride is sourced from PubChem (CID 161028770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).