3-methoxy-1-(3-methylphenyl)pentan-2-amine

C13H21NO — CID 116715238

IUPAC3-methoxy-1-(3-methylphenyl)pentan-2-amine
SMILESCCC(OC)C(N)Cc1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-4-13(15-3)12(14)9-11-7-5-6-10(2)8-11/h5-8,12-13H,4,9,14H2,1-3H3
InChIKeyYJYHLUSTXNKEOB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.29
Rot. Bonds5

About 3-methoxy-1-(3-methylphenyl)pentan-2-amine

3-methoxy-1-(3-methylphenyl)pentan-2-amine (PubChem CID 116715238) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methoxy-1-(3-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-(3-methylphenyl)pentan-2-amine
PubChem CID116715238
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methoxy-1-(3-methylphenyl)pentan-2-amine
SMILESCCC(OC)C(N)Cc1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-4-13(15-3)12(14)9-11-7-5-6-10(2)8-11/h5-8,12-13H,4,9,14H2,1-3H3
InChIKeyYJYHLUSTXNKEOB-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(3-methylphenyl)pentan-2-amine
CID 116716414
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
N-ethyl-3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715829
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
CID 116715141
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
1-(2-chloro-4-methylphenyl)-3-methoxypentan-2-amine
CID 106868787
1-(4-bromophenyl)-3-methoxypentan-2-amine
CID 116715134
4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
3-ethoxy-1-(3-methylphenyl)pentan-2-ol
CID 116711208
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
1-(2-chlorobutyl)-3-methylbenzene
CID 63016853
[1,1-dimethoxy-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105245974

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methylphenyl)pentan-2-amine?
The IUPAC name of 3-methoxy-1-(3-methylphenyl)pentan-2-amine (CID 116715238) is 3-methoxy-1-(3-methylphenyl)pentan-2-amine.
What is the SMILES notation for 3-methoxy-1-(3-methylphenyl)pentan-2-amine?
The canonical SMILES for 3-methoxy-1-(3-methylphenyl)pentan-2-amine is CCC(OC)C(N)Cc1cccc(C)c1.
What is the InChIKey of 3-methoxy-1-(3-methylphenyl)pentan-2-amine?
The InChIKey is YJYHLUSTXNKEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(15-3)12(14)9-11-7-5-6-10(2)8-11/h5-8,12-13H,4,9,14H2,1-3H3.
What are the key properties of 3-methoxy-1-(3-methylphenyl)pentan-2-amine?
3-methoxy-1-(3-methylphenyl)pentan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methylphenyl)pentan-2-amine is sourced from PubChem (CID 116715238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).