[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C13H19ClN2O — CID 102777868

IUPAC[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cc(N)ccc2Cl)C1CO
InChIInChI=1S/C13H19ClN2O/c1-9-4-5-16(13(9)8-17)7-10-6-11(15)2-3-12(10)14/h2-3,6,9,13,17H,4-5,7-8,15H2,1H3
InChIKeyQVSGMGNALNRATI-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.12
Rot. Bonds3

About [1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777868) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777868
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cc(N)ccc2Cl)C1CO
InChIInChI=1S/C13H19ClN2O/c1-9-4-5-16(13(9)8-17)7-10-6-11(15)2-3-12(10)14/h2-3,6,9,13,17H,4-5,7-8,15H2,1H3
InChIKeyQVSGMGNALNRATI-UHFFFAOYSA-N
XLogP2.12
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778580
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
4-chloro-3-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 60973735
[1-[(4-fluoro-2-methylphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788246
[1-[(3-amino-5-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103350027
[1-[(3-amino-4-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777799
1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol
CID 68627657
[1-[(2,3-difluorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102787791
[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788850
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626

Frequently Asked Questions

What is the IUPAC name of [1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102777868) is [1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(Cc2cc(N)ccc2Cl)C1CO.
What is the InChIKey of [1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is QVSGMGNALNRATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9-4-5-16(13(9)8-17)7-10-6-11(15)2-3-12(10)14/h2-3,6,9,13,17H,4-5,7-8,15H2,1H3.
What are the key properties of [1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 254.76 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).