[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine

C13H19ClN2O — CID 104816715

IUPAC[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCOc1cccc(Cl)c1CN1CCC(CN)C1
InChIInChI=1S/C13H19ClN2O/c1-17-13-4-2-3-12(14)11(13)9-16-6-5-10(7-15)8-16/h2-4,10H,5-9,15H2,1H3
InChIKeyACDJUYBWSKLAFY-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.13
Rot. Bonds4

About [1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine

[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 104816715) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID104816715
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCOc1cccc(Cl)c1CN1CCC(CN)C1
InChIInChI=1S/C13H19ClN2O/c1-17-13-4-2-3-12(14)11(13)9-16-6-5-10(7-15)8-16/h2-4,10H,5-9,15H2,1H3
InChIKeyACDJUYBWSKLAFY-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
N-[[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 103292689
1-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpiperidin-3-amine
CID 104816746
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
2-[1-[(2-chloro-6-methoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 104818988
5-[(2-chloro-6-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115884014
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
[4-[[(3R)-1-[(2,6-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
CID 97143774
(3S,4R)-1-[(2-chloro-6-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770160
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154906521

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine (CID 104816715) is [1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine is COc1cccc(Cl)c1CN1CCC(CN)C1.
What is the InChIKey of [1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is ACDJUYBWSKLAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-17-13-4-2-3-12(14)11(13)9-16-6-5-10(7-15)8-16/h2-4,10H,5-9,15H2,1H3.
What are the key properties of [1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 254.76 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 104816715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).