cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine

C22H32Cl2N2 — CID 15701665

IUPACcis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine
SMILESClc1ccc(CCN(CC2CC2)[C@H]2CCCC[C@H]2N2CCCC2)cc1Cl
InChIInChI=1S/C22H32Cl2N2/c23-19-10-9-17(15-20(19)24)11-14-26(16-18-7-8-18)22-6-2-1-5-21(22)25-12-3-4-13-25/h9-10,15,18,21-22H,1-8,11-14,16H2/t21-,22+/m1/s1
InChIKeyKUFHVKLXHYGCLV-YADHBBJMSA-N
MW395.42 g/mol
LogP5.65
Rot. Bonds7

About cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine

cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine (PubChem CID 15701665) has the molecular formula C22H32Cl2N2 and a molecular weight of 395.42 g/mol. Its IUPAC name is cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine
PubChem CID15701665
Molecular FormulaC22H32Cl2N2
Molecular Weight395.42 g/mol
Exact Mass394.19
IUPAC Namecis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine
SMILESClc1ccc(CCN(CC2CC2)[C@H]2CCCC[C@H]2N2CCCC2)cc1Cl
InChIInChI=1S/C22H32Cl2N2/c23-19-10-9-17(15-20(19)24)11-14-26(16-18-7-8-18)22-6-2-1-5-21(22)25-12-3-4-13-25/h9-10,15,18,21-22H,1-8,11-14,16H2/t21-,22+/m1/s1
InChIKeyKUFHVKLXHYGCLV-YADHBBJMSA-N
XLogP5.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-1-pyrrolidineethanamine
CID 126388
N1-(2-(3,4-Dichlorophenyl)ethyl)-N1,N2,N2-trimethyl-1,2-ethanediamine
CID 188914
1-(2-(3,4-Dichlorophenyl)ethyl)-4-methylpiperazine
CID 574780
1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine
CID 587944
Piperazine, 1-[5-fluoropentyl]-4-[2-(3,4-dichlorophenyl)ethyl]-
CID 604376
1-Pyrrolidineethanamine, N-(2-(3,4-dichlorophenyl)ethyl)-N-ethyl-
CID 9796923
[2-(3,4-Dichloro-phenyl)-ethyl]-(2-pyrrolidin-1-yl-cyclohexyl)-amine
CID 9905985
[2-(3,4-Dichloro-phenyl)-ethyl]-methyl-(1-methyl-2-pyrrolidin-1-yl-ethyl)-amine
CID 15113312
1-Butyl-4-[2-(3,4-dichloro-phenyl)-ethyl]-piperazine
CID 44313950
AC1L2Yul
CID 131253
3,4-Dichlorophenylethanamine, N-[1-methylazacyclohex-3-yl]-N-methyl-
CID 547467
2-Azabutane, 1-[1-methylazacyclohex-2-yl]-2-methyl-4-[3,4-dichlorophenyl]-
CID 566741

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine (CID 15701665) is cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine is Clc1ccc(CCN(CC2CC2)[C@H]2CCCC[C@H]2N2CCCC2)cc1Cl.
What is the InChIKey of cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine?
The InChIKey is KUFHVKLXHYGCLV-YADHBBJMSA-N. The full InChI is InChI=1S/C22H32Cl2N2/c23-19-10-9-17(15-20(19)24)11-14-26(16-18-7-8-18)22-6-2-1-5-21(22)25-12-3-4-13-25/h9-10,15,18,21-22H,1-8,11-14,16H2/t21-,22+/m1/s1.
What are the key properties of cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine?
cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine has a molecular weight of 395.42 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(cyclopropylmethyl)-N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine is sourced from PubChem (CID 15701665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).