N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride

C14H19ClF2N2 — CID 120966582

IUPACN-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.Fc1cccc(F)c1CN(C1CC1)C1CCNC1
InChIInChI=1S/C14H18F2N2.ClH/c15-13-2-1-3-14(16)12(13)9-18(10-4-5-10)11-6-7-17-8-11;/h1-3,10-11,17H,4-9H2;1H
InChIKeyLRKFHJYVDOELJU-UHFFFAOYSA-N
MW288.77 g/mol
LogP2.71
Rot. Bonds4

About N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride

N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120966582) has the molecular formula C14H19ClF2N2 and a molecular weight of 288.77 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120966582
Molecular FormulaC14H19ClF2N2
Molecular Weight288.77 g/mol
Exact Mass288.12
IUPAC NameN-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.Fc1cccc(F)c1CN(C1CC1)C1CCNC1
InChIInChI=1S/C14H18F2N2.ClH/c15-13-2-1-3-14(16)12(13)9-18(10-4-5-10)11-6-7-17-8-11;/h1-3,10-11,17H,4-9H2;1H
InChIKeyLRKFHJYVDOELJU-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-6-fluorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842332
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 114930841
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-[(3S)-oxolan-3-yl]pyrrolidin-3-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 69064329
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-[(3R)-oxolan-3-yl]pyrrolidin-3-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 69062092
(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431
(3S)-N-cyclohexyl-N-[(2-methylsulfanylphenyl)methyl]pyrrolidin-3-amine
CID 11278131
(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine
CID 11380271
(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062108
N-[(2-ethyl-6-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 120835424
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-propylpyrrolidin-3-amine
CID 83069157
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 69063197

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120966582) is N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.Fc1cccc(F)c1CN(C1CC1)C1CCNC1.
What is the InChIKey of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is LRKFHJYVDOELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2.ClH/c15-13-2-1-3-14(16)12(13)9-18(10-4-5-10)11-6-7-17-8-11;/h1-3,10-11,17H,4-9H2;1H.
What are the key properties of N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 288.77 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120966582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).