1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C15H24N2O — CID 106637287

IUPAC1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCCN1)c1ccccc1OC
InChIInChI=1S/C15H24N2O/c1-3-14(17-11-12-7-6-10-16-12)13-8-4-5-9-15(13)18-2/h4-5,8-9,12,14,16-17H,3,6-7,10-11H2,1-2H3
InChIKeyAWCMQJQJIISELX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine

1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106637287) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106637287
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCCN1)c1ccccc1OC
InChIInChI=1S/C15H24N2O/c1-3-14(17-11-12-7-6-10-16-12)13-8-4-5-9-15(13)18-2/h4-5,8-9,12,14,16-17H,3,6-7,10-11H2,1-2H3
InChIKeyAWCMQJQJIISELX-UHFFFAOYSA-N
XLogP2.49
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
1-(2-methoxyphenyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 80554157
2-[[1-(2-methoxyphenyl)propylamino]methyl]cyclohexan-1-ol
CID 64929998
3-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510808
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106259714
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[2-(cyclopropylmethoxy)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103782832
[1-[[1-(2-methoxyphenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358414
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine
CID 64918822
(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
CID 107862197

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106637287) is 1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CCC(NCC1CCCN1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is AWCMQJQJIISELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14(17-11-12-7-6-10-16-12)13-8-4-5-9-15(13)18-2/h4-5,8-9,12,14,16-17H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106637287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).