3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

C14H21ClN2 — CID 84752139

IUPAC3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CN)(Cc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C14H21ClN2/c1-14(11-16,17-8-2-3-9-17)10-12-4-6-13(15)7-5-12/h4-7H,2-3,8-11,16H2,1H3
InChIKeyYQARFMMFVNUDHZ-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.70
Rot. Bonds4

About 3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine

3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 84752139) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID84752139
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CN)(Cc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C14H21ClN2/c1-14(11-16,17-8-2-3-9-17)10-12-4-6-13(15)7-5-12/h4-7H,2-3,8-11,16H2,1H3
InChIKeyYQARFMMFVNUDHZ-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84752283
2-(azepan-1-yl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 84752027
3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
CID 84752060
2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 63272832
2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine
CID 84727871
3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685
3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
CID 84752076
2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 55150857
3-(azepan-1-yl)-1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 79051085
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
3-(4-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 84752230
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine (CID 84752139) is 3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is CC(CN)(Cc1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is YQARFMMFVNUDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-14(11-16,17-8-2-3-9-17)10-12-4-6-13(15)7-5-12/h4-7H,2-3,8-11,16H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine?
3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 84752139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).