1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C18H31NO — CID 103031475

IUPAC1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccc(C)cc1C
InChIInChI=1S/C18H31NO/c1-7-12-19-17(10-11-18(4,5)20-6)16-9-8-14(2)13-15(16)3/h8-9,13,17,19H,7,10-12H2,1-6H3
InChIKeyNJCABNKGIISACU-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.55
Rot. Bonds8

About 1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103031475) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103031475
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccc(C)cc1C
InChIInChI=1S/C18H31NO/c1-7-12-19-17(10-11-18(4,5)20-6)16-9-8-14(2)13-15(16)3/h8-9,13,17,19H,7,10-12H2,1-6H3
InChIKeyNJCABNKGIISACU-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106792507
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
4-methoxy-4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 103031413
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 103035971
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 64651316
1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115850153
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848588
1-(2,5-dichlorothiophen-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 107969419
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103031475) is 1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is NJCABNKGIISACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-12-19-17(10-11-18(4,5)20-6)16-9-8-14(2)13-15(16)3/h8-9,13,17,19H,7,10-12H2,1-6H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103031475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).