1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C16H25Cl2N3 — CID 120909794

IUPAC1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2c(Cl)cccc2N2CCCC2)CC1N.Cl
InChIInChI=1S/C16H24ClN3.ClH/c1-12-9-19(11-15(12)18)10-13-14(17)5-4-6-16(13)20-7-2-3-8-20;/h4-6,12,15H,2-3,7-11,18H2,1H3;1H
InChIKeyKVULBYQHMKDUGK-UHFFFAOYSA-N
MW330.30 g/mol
LogP3.14
Rot. Bonds3

About 1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909794) has the molecular formula C16H25Cl2N3 and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909794
Molecular FormulaC16H25Cl2N3
Molecular Weight330.30 g/mol
Exact Mass329.14
IUPAC Name1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2c(Cl)cccc2N2CCCC2)CC1N.Cl
InChIInChI=1S/C16H24ClN3.ClH/c1-12-9-19(11-15(12)18)10-13-14(17)5-4-6-16(13)20-7-2-3-8-20;/h4-6,12,15H,2-3,7-11,18H2,1H3;1H
InChIKeyKVULBYQHMKDUGK-UHFFFAOYSA-N
XLogP3.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine
CID 104816746
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
(3S,4R)-1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770314
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
O-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]hydroxylamine
CID 117111225
1-[3-chloro-2-(chloromethyl)phenyl]-3-methylpiperidine
CID 43121145
1-[(3-bromo-4-chlorophenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909523
2-[2-chloro-6-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63783611
1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 113456615
3-chloro-2-[(3,4-dimethylpiperidin-1-yl)methyl]phenol
CID 113346151
1-[2-(bromomethyl)-3-chlorophenyl]-4-methyl-1,4-diazepane
CID 107079656

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909794) is 1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(Cc2c(Cl)cccc2N2CCCC2)CC1N.Cl.
What is the InChIKey of 1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is KVULBYQHMKDUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3.ClH/c1-12-9-19(11-15(12)18)10-13-14(17)5-4-6-16(13)20-7-2-3-8-20;/h4-6,12,15H,2-3,7-11,18H2,1H3;1H.
What are the key properties of 1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 330.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).