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

C13H22N2O2 — CID 106154653

IUPAC5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
SMILESCOc1cccc(NCCCC(C)CO)c1N
InChIInChI=1S/C13H22N2O2/c1-10(9-16)5-4-8-15-11-6-3-7-12(17-2)13(11)14/h3,6-7,10,15-16H,4-5,8-9,14H2,1-2H3
InChIKeyRBWSWODDRQBOFE-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.10
Rot. Bonds7

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

5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol (PubChem CID 106154653) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
PubChem CID106154653
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
SMILESCOc1cccc(NCCCC(C)CO)c1N
InChIInChI=1S/C13H22N2O2/c1-10(9-16)5-4-8-15-11-6-3-7-12(17-2)13(11)14/h3,6-7,10,15-16H,4-5,8-9,14H2,1-2H3
InChIKeyRBWSWODDRQBOFE-UHFFFAOYSA-N
XLogP2.10
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-N-(7-methyloctyl)benzene-1,2-diamine
CID 107814794
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
2-methoxy-N-(4-methylpentyl)aniline
CID 83156470
2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251525
5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol
CID 103905511
5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol
CID 102846516
5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol
CID 106154281
5-(2-amino-4-chloroanilino)-2-methylpentan-1-ol
CID 106154375
[2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol
CID 113392730
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329
3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106007000
1-N-(4-methylpentyl)-3-phenylbenzene-1,2-diamine
CID 69128828

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol?
The IUPAC name of 5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol (CID 106154653) is 5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol is COc1cccc(NCCCC(C)CO)c1N.
What is the InChIKey of 5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol?
The InChIKey is RBWSWODDRQBOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(9-16)5-4-8-15-11-6-3-7-12(17-2)13(11)14/h3,6-7,10,15-16H,4-5,8-9,14H2,1-2H3.
What are the key properties of 5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol?
5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol is sourced from PubChem (CID 106154653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).