1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine

C19H33NO — CID 82984646

IUPAC1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)C(CCC)CCC
InChIInChI=1S/C19H33NO/c1-6-9-16(10-7-2)19(20-13-8-3)18-12-11-17(21-5)14-15(18)4/h11-12,14,16,19-20H,6-10,13H2,1-5H3
InChIKeyVSBZSYJKYVPJKV-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.26
Rot. Bonds10

About 1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine

1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine (PubChem CID 82984646) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
PubChem CID82984646
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
SMILESCCCNC(c1ccc(OC)cc1C)C(CCC)CCC
InChIInChI=1S/C19H33NO/c1-6-9-16(10-7-2)19(20-13-8-3)18-12-11-17(21-5)14-15(18)4/h11-12,14,16,19-20H,6-10,13H2,1-5H3
InChIKeyVSBZSYJKYVPJKV-UHFFFAOYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine
CID 116719567
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 63832189
1-(2,4-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43496056
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine
CID 82983938
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495573
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
CID 43561588

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine (CID 82984646) is 1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine is CCCNC(c1ccc(OC)cc1C)C(CCC)CCC.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine?
The InChIKey is VSBZSYJKYVPJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-9-16(10-7-2)19(20-13-8-3)18-12-11-17(21-5)14-15(18)4/h11-12,14,16,19-20H,6-10,13H2,1-5H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine?
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.26, 10 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)-N,2-dipropylpentan-1-amine is sourced from PubChem (CID 82984646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).