1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C18H27ClN2 — CID 106604524

IUPAC1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1ccc(Cl)cc1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C18H27ClN2/c1-2-18(15-7-9-16(19)10-8-15)21(12-14-5-6-14)13-17-4-3-11-20-17/h7-10,14,17-18,20H,2-6,11-13H2,1H3
InChIKeyCAJXGHCFDLWMOO-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.26
Rot. Bonds7

About 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106604524) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106604524
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(c1ccc(Cl)cc1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C18H27ClN2/c1-2-18(15-7-9-16(19)10-8-15)21(12-14-5-6-14)13-17-4-3-11-20-17/h7-10,14,17-18,20H,2-6,11-13H2,1H3
InChIKeyCAJXGHCFDLWMOO-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603520
N-(cyclopropylmethyl)-1-(furan-2-yl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604534
N-[1-(4-chlorophenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605425
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106622440
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
1-(4-bromo-2-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604340
1-(4-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602815
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616352
N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 112743402
N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598999

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106604524) is 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCC(c1ccc(Cl)cc1)N(CC1CC1)CC1CCCN1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is CAJXGHCFDLWMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-2-18(15-7-9-16(19)10-8-15)21(12-14-5-6-14)13-17-4-3-11-20-17/h7-10,14,17-18,20H,2-6,11-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 306.88 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106604524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).