1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine

C18H31NO — CID 115850153

IUPAC1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1cc(C)ccc1OC
InChIInChI=1S/C18H31NO/c1-7-12-19-16(10-11-18(3,4)5)15-13-14(2)8-9-17(15)20-6/h8-9,13,16,19H,7,10-12H2,1-6H3
InChIKeyKDTOZMVLCJBCED-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.87
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine

1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine (PubChem CID 115850153) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
PubChem CID115850153
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)C)c1cc(C)ccc1OC
InChIInChI=1S/C18H31NO/c1-7-12-19-16(10-11-18(3,4)5)15-13-14(2)8-9-17(15)20-6/h8-9,13,16,19H,7,10-12H2,1-6H3
InChIKeyKDTOZMVLCJBCED-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
4-methoxy-1-(2-methoxy-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106792507
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 106200526
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
3-cyclopropyl-1-(2,5-dimethoxyphenyl)-N-propylpropan-1-amine
CID 104995107
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpropan-1-amine
CID 64535027
1-(5-bromo-2-methoxyphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43493922

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine (CID 115850153) is 1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)C)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
The InChIKey is KDTOZMVLCJBCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-12-19-16(10-11-18(3,4)5)15-13-14(2)8-9-17(15)20-6/h8-9,13,16,19H,7,10-12H2,1-6H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine?
1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine is sourced from PubChem (CID 115850153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).