1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine

C16H26N2O — CID 83980975

IUPAC1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
SMILESCCCC(N)C1CCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C16H26N2O/c1-3-5-16(17)14-8-9-18(12-14)11-13-6-4-7-15(10-13)19-2/h4,6-7,10,14,16H,3,5,8-9,11-12,17H2,1-2H3
InChIKeySLNFCOWCXBEUIQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds6

About 1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine

1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine (PubChem CID 83980975) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
PubChem CID83980975
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
SMILESCCCC(N)C1CCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C16H26N2O/c1-3-5-16(17)14-8-9-18(12-14)11-13-6-4-7-15(10-13)19-2/h4,6-7,10,14,16H,3,5,8-9,11-12,17H2,1-2H3
InChIKeySLNFCOWCXBEUIQ-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980971
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
3-(2-bromoethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 114800301
ethyl 2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980965
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63852701
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine?
The IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine (CID 83980975) is 1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine is CCCC(N)C1CCN(Cc2cccc(OC)c2)C1.
What is the InChIKey of 1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine?
The InChIKey is SLNFCOWCXBEUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-5-16(17)14-8-9-18(12-14)11-13-6-4-7-15(10-13)19-2/h4,6-7,10,14,16H,3,5,8-9,11-12,17H2,1-2H3.
What are the key properties of 1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine?
1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine is sourced from PubChem (CID 83980975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).