N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine

C18H25ClN2 — CID 91830249

IUPACN-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine
SMILESClc1cccc(CN(CCN2C[C@H]3CC[C@@H]2C3)C2CC2)c1
InChIInChI=1S/C18H25ClN2/c19-16-3-1-2-14(10-16)12-20(17-6-7-17)8-9-21-13-15-4-5-18(21)11-15/h1-3,10,15,17-18H,4-9,11-13H2/t15-,18+/m0/s1
InChIKeyPFSYFUMHCBQAIC-MAUKXSAKSA-N
MW304.86 g/mol
LogP3.79
Rot. Bonds6

About N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine

N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine (PubChem CID 91830249) has the molecular formula C18H25ClN2 and a molecular weight of 304.86 g/mol. Its IUPAC name is N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine
PubChem CID91830249
Molecular FormulaC18H25ClN2
Molecular Weight304.86 g/mol
Exact Mass304.17
IUPAC NameN-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine
SMILESClc1cccc(CN(CCN2C[C@H]3CC[C@@H]2C3)C2CC2)c1
InChIInChI=1S/C18H25ClN2/c19-16-3-1-2-14(10-16)12-20(17-6-7-17)8-9-21-13-15-4-5-18(21)11-15/h1-3,10,15,17-18H,4-9,11-13H2/t15-,18+/m0/s1
InChIKeyPFSYFUMHCBQAIC-MAUKXSAKSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine
CID 63389670
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol
CID 55098468
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 54980627
N-[(3-chlorophenyl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637908
2-[2-(4-benzylphenoxy)ethyl]-2-azabicyclo[2.2.1]heptane
CID 23553311
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)benzenecarbothioamide
CID 54981209
2-[(3-chlorophenyl)methyl-[(3S)-1,1-dioxothiolan-3-yl]amino]acetic acid
CID 129365619
2-[(3-chlorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 80996487
N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]cyclopropanamine
CID 63387371
N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102677225

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine (CID 91830249) is N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine is Clc1cccc(CN(CCN2C[C@H]3CC[C@@H]2C3)C2CC2)c1.
What is the InChIKey of N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine?
The InChIKey is PFSYFUMHCBQAIC-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H25ClN2/c19-16-3-1-2-14(10-16)12-20(17-6-7-17)8-9-21-13-15-4-5-18(21)11-15/h1-3,10,15,17-18H,4-9,11-13H2/t15-,18+/m0/s1.
What are the key properties of N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine?
N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine has a molecular weight of 304.86 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 91830249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).