2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine

C16H25FN2 — CID 107520427

IUPAC2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)N(CC1CC1)C(C)C(N)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-11(2)19(10-13-4-5-13)12(3)16(18)14-6-8-15(17)9-7-14/h6-9,11-13,16H,4-5,10,18H2,1-3H3
InChIKeyPZFDNJVHYKEVCI-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.33
Rot. Bonds6

About 2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine

2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 107520427) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID107520427
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)N(CC1CC1)C(C)C(N)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-11(2)19(10-13-4-5-13)12(3)16(18)14-6-8-15(17)9-7-14/h6-9,11-13,16H,4-5,10,18H2,1-3H3
InChIKeyPZFDNJVHYKEVCI-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
1-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-1-N-methylpropane-1,2-diamine
CID 55016538
2-N-cyclopropyl-1-(4-fluorophenyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 107520391
1-(4-fluorophenyl)-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 107521169
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
2-N-butan-2-yl-2-N-butyl-1-(4-fluorophenyl)propane-1,2-diamine
CID 107520436
N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 106528593
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 114832441
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine (CID 107520427) is 2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine is CC(C)N(CC1CC1)C(C)C(N)c1ccc(F)cc1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is PZFDNJVHYKEVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11(2)19(10-13-4-5-13)12(3)16(18)14-6-8-15(17)9-7-14/h6-9,11-13,16H,4-5,10,18H2,1-3H3.
What are the key properties of 2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine?
2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-1-(4-fluorophenyl)-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 107520427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).