3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol

C13H22N2O2 — CID 114176709

IUPAC3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol
SMILESCOc1ccc(N)c(NC(CCO)C(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-9(2)12(6-7-16)15-13-8-10(17-3)4-5-11(13)14/h4-5,8-9,12,15-16H,6-7,14H2,1-3H3
InChIKeyLIBSYQJIDCLRPP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.10
Rot. Bonds6

About 3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol

3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol (PubChem CID 114176709) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol
PubChem CID114176709
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol
SMILESCOc1ccc(N)c(NC(CCO)C(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-9(2)12(6-7-16)15-13-8-10(17-3)4-5-11(13)14/h4-5,8-9,12,15-16H,6-7,14H2,1-3H3
InChIKeyLIBSYQJIDCLRPP-UHFFFAOYSA-N
XLogP2.10
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
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

2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
CID 106349785
3-(2-amino-4-nitroanilino)-4-methylpentan-1-ol
CID 106348145
3-[(2-amino-5-methoxyanilino)methyl]hexan-1-ol
CID 114145219
2-(2-amino-5-methoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845814
2-(2-chloro-4-methoxyanilino)-3-methylbutan-1-ol
CID 115137311
(2-amino-5-methoxyphenyl)carbamodithioic acid
CID 169433846
3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348219
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
CID 114176711
N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 103750968
N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide
CID 119421306
N-[2-(2-amino-5-methoxyanilino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119420848
2-(2-amino-5-methoxyanilino)ethyl carbamate
CID 83202729

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol?
The IUPAC name of 3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol (CID 114176709) is 3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol is COc1ccc(N)c(NC(CCO)C(C)C)c1.
What is the InChIKey of 3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol?
The InChIKey is LIBSYQJIDCLRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)12(6-7-16)15-13-8-10(17-3)4-5-11(13)14/h4-5,8-9,12,15-16H,6-7,14H2,1-3H3.
What are the key properties of 3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol?
3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methoxyanilino)-4-methylpentan-1-ol is sourced from PubChem (CID 114176709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).