1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine

C14H23NO — CID 114874188

IUPAC1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1ccc(OC)cc1C
InChIInChI=1S/C14H23NO/c1-5-10(2)8-14(15)13-7-6-12(16-4)9-11(13)3/h6-7,9-10,14H,5,8,15H2,1-4H3
InChIKeyYVIFWSZXLSBRRD-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine

1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine (PubChem CID 114874188) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
PubChem CID114874188
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1ccc(OC)cc1C
InChIInChI=1S/C14H23NO/c1-5-10(2)8-14(15)13-7-6-12(16-4)9-11(13)3/h6-7,9-10,14H,5,8,15H2,1-4H3
InChIKeyYVIFWSZXLSBRRD-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3,5,5-trimethylhexan-1-amine
CID 43321087
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093283
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943
(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
CID 171265166
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine (CID 114874188) is 1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine is CCC(C)CC(N)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine?
The InChIKey is YVIFWSZXLSBRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-10(2)8-14(15)13-7-6-12(16-4)9-11(13)3/h6-7,9-10,14H,5,8,15H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine?
1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 114874188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).