5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine

C15H25NO — CID 65303977

IUPAC5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
SMILESCNCCC(C)CCc1ccc(OC)c(C)c1
InChIInChI=1S/C15H25NO/c1-12(9-10-16-3)5-6-14-7-8-15(17-4)13(2)11-14/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyVLVAYGGQTBESIG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.18
Rot. Bonds7

About 5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine

5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine (PubChem CID 65303977) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
PubChem CID65303977
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
SMILESCNCCC(C)CCc1ccc(OC)c(C)c1
InChIInChI=1S/C15H25NO/c1-12(9-10-16-3)5-6-14-7-8-15(17-4)13(2)11-14/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyVLVAYGGQTBESIG-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304908
5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647
4-(3,4-dimethylpent-4-enyl)-1-methoxy-2-methylbenzene
CID 143542362
N-[4-(4-methoxy-3-methylphenyl)butan-2-yl]cyclopropanamine
CID 112518040
5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65433204
5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
CID 113319296
N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
CID 65304012
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylbutan-1-amine
CID 62691785
5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 65304156
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine (CID 65303977) is 5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine is CNCCC(C)CCc1ccc(OC)c(C)c1.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is VLVAYGGQTBESIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(9-10-16-3)5-6-14-7-8-15(17-4)13(2)11-14/h7-8,11-12,16H,5-6,9-10H2,1-4H3.
What are the key properties of 5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine?
5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 65303977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).