2-methoxy-N-(4-methylpentyl)aniline

C13H21NO — CID 83156470

IUPAC2-methoxy-N-(4-methylpentyl)aniline
SMILESCOc1ccccc1NCCCC(C)C
InChIInChI=1S/C13H21NO/c1-11(2)7-6-10-14-12-8-4-5-9-13(12)15-3/h4-5,8-9,11,14H,6-7,10H2,1-3H3
InChIKeyOGECSYPCZCKWPM-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.54
Rot. Bonds6

About 2-methoxy-N-(4-methylpentyl)aniline

2-methoxy-N-(4-methylpentyl)aniline (PubChem CID 83156470) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylpentyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-(4-methylpentyl)aniline
PubChem CID83156470
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methoxy-N-(4-methylpentyl)aniline
SMILESCOc1ccccc1NCCCC(C)C
InChIInChI=1S/C13H21NO/c1-11(2)7-6-10-14-12-8-4-5-9-13(12)15-3/h4-5,8-9,11,14H,6-7,10H2,1-3H3
InChIKeyOGECSYPCZCKWPM-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-N-(7-methyloctyl)benzene-1,2-diamine
CID 107814794
N'-(2-methoxyphenyl)butane-1,4-diamine
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2-methoxy-N-(3-methylsulfanylpropyl)aniline
CID 28612222
N-(3-ethoxypropyl)-2-methoxyaniline
CID 65176309
3-(2-methoxyanilino)-1-phenylpropan-1-ol
CID 112510625
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966294
sodium 3-(2-methoxyanilino)propane-1-sulfonate
CID 23689659
5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
CID 106154653
2-ethylsulfonyl-N-(4-methylpentyl)aniline
CID 54913636
2-methoxy-N-pent-3-ynylaniline
CID 104744047
N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54807142
2-methoxy-N-(2-propoxyethyl)aniline
CID 106451173

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylpentyl)aniline?
The IUPAC name of 2-methoxy-N-(4-methylpentyl)aniline (CID 83156470) is 2-methoxy-N-(4-methylpentyl)aniline.
What is the SMILES notation for 2-methoxy-N-(4-methylpentyl)aniline?
The canonical SMILES for 2-methoxy-N-(4-methylpentyl)aniline is COc1ccccc1NCCCC(C)C.
What is the InChIKey of 2-methoxy-N-(4-methylpentyl)aniline?
The InChIKey is OGECSYPCZCKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)7-6-10-14-12-8-4-5-9-13(12)15-3/h4-5,8-9,11,14H,6-7,10H2,1-3H3.
What are the key properties of 2-methoxy-N-(4-methylpentyl)aniline?
2-methoxy-N-(4-methylpentyl)aniline has a molecular weight of 207.32 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methylpentyl)aniline is sourced from PubChem (CID 83156470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).