2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine

C17H28N2O — CID 43829876

IUPAC2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
SMILESCCCC(N1CCCC1)C(C)(N)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-4-7-16(19-12-5-6-13-19)17(2,18)14-8-10-15(20-3)11-9-14/h8-11,16H,4-7,12-13,18H2,1-3H3
InChIKeyVQMQYJMDYYCDQO-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine

2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine (PubChem CID 43829876) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
PubChem CID43829876
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
SMILESCCCC(N1CCCC1)C(C)(N)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O/c1-4-7-16(19-12-5-6-13-19)17(2,18)14-8-10-15(20-3)11-9-14/h8-11,16H,4-7,12-13,18H2,1-3H3
InChIKeyVQMQYJMDYYCDQO-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
CID 43829854
2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43830019
3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine
CID 43829999
3-(4-methylpiperazin-1-yl)-2-phenylheptan-2-amine
CID 43829684
1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine
CID 43829903
2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine
CID 43829937
3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine
CID 43829878
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
2-(4-methoxyphenyl)heptan-2-amine
CID 62621826
4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine
CID 115624966
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylheptan-1-one
CID 102144586
5-(azepan-1-yl)-4-phenyloct-1-en-4-amine
CID 43829671

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine?
The IUPAC name of 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine (CID 43829876) is 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine is CCCC(N1CCCC1)C(C)(N)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine?
The InChIKey is VQMQYJMDYYCDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-7-16(19-12-5-6-13-19)17(2,18)14-8-10-15(20-3)11-9-14/h8-11,16H,4-7,12-13,18H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine?
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine is sourced from PubChem (CID 43829876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).