1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine

C16H26N2 — CID 55016632

IUPAC1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)cc1)N1CCC(C)C1
InChIInChI=1S/C16H26N2/c1-4-15(17)16(18-10-9-13(3)11-18)14-7-5-12(2)6-8-14/h5-8,13,15-16H,4,9-11,17H2,1-3H3
InChIKeyLUNXMUUOAWTNFK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine

1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine (PubChem CID 55016632) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine
PubChem CID55016632
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)cc1)N1CCC(C)C1
InChIInChI=1S/C16H26N2/c1-4-15(17)16(18-10-9-13(3)11-18)14-7-5-12(2)6-8-14/h5-8,13,15-16H,4,9-11,17H2,1-3H3
InChIKeyLUNXMUUOAWTNFK-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-amino-1-(4-methylphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964975
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)butan-2-amine
CID 63603967
1-(4-methylphenyl)-1-piperidin-1-ylbutan-2-amine
CID 55016527
1-[2-amino-1-(4-methylphenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81450382
1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine
CID 63624404
1-[2-amino-1-(4-bromophenyl)butyl]pyrrolidin-3-ol
CID 62941502
1-(4-methylphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 55153137
[1-[2-amino-1-(4-fluorophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624411
2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
CID 61226976
1-(4-bromophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505245
1-(4-fluorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)butan-2-amine
CID 103505312
1-(4-chlorophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79182425

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine?
The IUPAC name of 1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine (CID 55016632) is 1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine is CCC(N)C(c1ccc(C)cc1)N1CCC(C)C1.
What is the InChIKey of 1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine?
The InChIKey is LUNXMUUOAWTNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-15(17)16(18-10-9-13(3)11-18)14-7-5-12(2)6-8-14/h5-8,13,15-16H,4,9-11,17H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine?
1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-(3-methylpyrrolidin-1-yl)butan-2-amine is sourced from PubChem (CID 55016632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).