1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

C18H29ClN2 — CID 79059844

IUPAC1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C(C)(CC)N1CCCC1
InChIInChI=1S/C18H29ClN2/c1-4-12-20-17(15-8-10-16(19)11-9-15)18(3,5-2)21-13-6-7-14-21/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyIWCMXOOAOXJVTP-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.65
Rot. Bonds7

About 1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine

1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79059844) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79059844
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C(C)(CC)N1CCCC1
InChIInChI=1S/C18H29ClN2/c1-4-12-20-17(15-8-10-16(19)11-9-15)18(3,5-2)21-13-6-7-14-21/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyIWCMXOOAOXJVTP-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5-methylthiophen-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069595
N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79059314
2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 79051839
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069274
1-(4-methoxyphenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051291
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
[1-(4-ethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241199
1-(2,5-difluorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79051292
1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660522
3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
CID 79069357
1-(2-chlorophenyl)-N,2-dimethyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068490
[1-(4-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241337

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine (CID 79059844) is 1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is CCCNC(c1ccc(Cl)cc1)C(C)(CC)N1CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is IWCMXOOAOXJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-12-20-17(15-8-10-16(19)11-9-15)18(3,5-2)21-13-6-7-14-21/h8-11,17,20H,4-7,12-14H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine?
1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-N-propyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79059844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).