1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine

C19H33NO — CID 63833464

IUPAC1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccccc1OC)CC(C)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-7-12-20-17(13-15(2)19(3,4)5)14-16-10-8-9-11-18(16)21-6/h8-11,15,17,20H,7,12-14H2,1-6H3
InChIKeyUBTZBPKKEYJYIU-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.68
Rot. Bonds8

About 1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine

1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine (PubChem CID 63833464) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
PubChem CID63833464
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccccc1OC)CC(C)C(C)(C)C
InChIInChI=1S/C19H33NO/c1-7-12-20-17(13-15(2)19(3,4)5)14-16-10-8-9-11-18(16)21-6/h8-11,15,17,20H,7,12-14H2,1-6H3
InChIKeyUBTZBPKKEYJYIU-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
CID 82922595
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131449
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
CID 79179978
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine
CID 115813662
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
N-ethyl-4,5,5-trimethyl-1-(2-methylphenyl)hexan-2-amine
CID 63833817
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
CID 65487593
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine (CID 63833464) is 1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine is CCCNC(Cc1ccccc1OC)CC(C)C(C)(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine?
The InChIKey is UBTZBPKKEYJYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-12-20-17(13-15(2)19(3,4)5)14-16-10-8-9-11-18(16)21-6/h8-11,15,17,20H,7,12-14H2,1-6H3.
What are the key properties of 1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine?
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine is sourced from PubChem (CID 63833464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).