[2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol

C14H22N2O2 — CID 113392730

IUPAC[2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol
SMILESCOc1cccc(NCC2CCCC2CO)c1N
InChIInChI=1S/C14H22N2O2/c1-18-13-7-3-6-12(14(13)15)16-8-10-4-2-5-11(10)9-17/h3,6-7,10-11,16-17H,2,4-5,8-9,15H2,1H3
InChIKeyVSQPJNZMCHAXLX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.10
Rot. Bonds5

About [2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol

[2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol (PubChem CID 113392730) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol
PubChem CID113392730
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol
SMILESCOc1cccc(NCC2CCCC2CO)c1N
InChIInChI=1S/C14H22N2O2/c1-18-13-7-3-6-12(14(13)15)16-8-10-4-2-5-11(10)9-17/h3,6-7,10-11,16-17H,2,4-5,8-9,15H2,1H3
InChIKeyVSQPJNZMCHAXLX-UHFFFAOYSA-N
XLogP2.10
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
[2-[[(3-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113286599
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methoxybenzamide
CID 106358697
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
CID 106154653
[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol
CID 113392651
2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251525
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol
CID 106120202
[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66325187
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
CID 106358693
[2-[(3-methoxy-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362135

Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol?
The IUPAC name of [2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol (CID 113392730) is [2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol is COc1cccc(NCC2CCCC2CO)c1N.
What is the InChIKey of [2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol?
The InChIKey is VSQPJNZMCHAXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-13-7-3-6-12(14(13)15)16-8-10-4-2-5-11(10)9-17/h3,6-7,10-11,16-17H,2,4-5,8-9,15H2,1H3.
What are the key properties of [2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol?
[2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol has a molecular weight of 250.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 113392730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).