N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C17H23ClN2 — CID 43792606

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESClc1ccc(C(NC2CCN3CCCC23)C2CC2)cc1
InChIInChI=1S/C17H23ClN2/c18-14-7-5-13(6-8-14)17(12-3-4-12)19-15-9-11-20-10-1-2-16(15)20/h5-8,12,15-17,19H,1-4,9-11H2
InChIKeyCRXTXJPCZIINQX-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.62
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43792606) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43792606
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESClc1ccc(C(NC2CCN3CCCC23)C2CC2)cc1
InChIInChI=1S/C17H23ClN2/c18-14-7-5-13(6-8-14)17(12-3-4-12)19-15-9-11-20-10-1-2-16(15)20/h5-8,12,15-17,19H,1-4,9-11H2
InChIKeyCRXTXJPCZIINQX-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclopropylpiperidin-4-amine
CID 43791325
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-dimethylpiperidin-4-amine
CID 115707064
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methylcyclohexan-1-amine
CID 43224358
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694247
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol
CID 43792315
N-[1-(4-methylphenyl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752400
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852806
N-(2,2-dimethyl-1-phenylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853453
N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694434
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853310
N-[(2,5-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65316441

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43792606) is N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Clc1ccc(C(NC2CCN3CCCC23)C2CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is CRXTXJPCZIINQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c18-14-7-5-13(6-8-14)17(12-3-4-12)19-15-9-11-20-10-1-2-16(15)20/h5-8,12,15-17,19H,1-4,9-11H2.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 290.84 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43792606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).