[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C14H22N2O2 — CID 102777626

IUPAC[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCOc1ccc(CN2CCC(C)C2CO)cc1N
InChIInChI=1S/C14H22N2O2/c1-10-5-6-16(13(10)9-17)8-11-3-4-14(18-2)12(15)7-11/h3-4,7,10,13,17H,5-6,8-9,15H2,1-2H3
InChIKeySNCPCFDGKBZTFP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds4

About [1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777626) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777626
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCOc1ccc(CN2CCC(C)C2CO)cc1N
InChIInChI=1S/C14H22N2O2/c1-10-5-6-16(13(10)9-17)8-11-3-4-14(18-2)12(15)7-11/h3-4,7,10,13,17H,5-6,8-9,15H2,1-2H3
InChIKeySNCPCFDGKBZTFP-UHFFFAOYSA-N
XLogP1.48
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(3-amino-4-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777799
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline
CID 114592263
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline
CID 61440178
4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one
CID 63601447
2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
CID 43575611
5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxyaniline
CID 83227764
[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777868

Frequently Asked Questions

What is the IUPAC name of [1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102777626) is [1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is COc1ccc(CN2CCC(C)C2CO)cc1N.
What is the InChIKey of [1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is SNCPCFDGKBZTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-6-16(13(10)9-17)8-11-3-4-14(18-2)12(15)7-11/h3-4,7,10,13,17H,5-6,8-9,15H2,1-2H3.
What are the key properties of [1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).