N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine

C19H33NO — CID 63452997

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
SMILESCOc1ccccc1CC(C)NC(CC(C)C)CC(C)C
InChIInChI=1S/C19H33NO/c1-14(2)11-18(12-15(3)4)20-16(5)13-17-9-7-8-10-19(17)21-6/h7-10,14-16,18,20H,11-13H2,1-6H3
InChIKeyOJKTVAMEWIQOBO-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.68
Rot. Bonds9

About N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine

N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine (PubChem CID 63452997) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
PubChem CID63452997
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
SMILESCOc1ccccc1CC(C)NC(CC(C)C)CC(C)C
InChIInChI=1S/C19H33NO/c1-14(2)11-18(12-15(3)4)20-16(5)13-17-9-7-8-10-19(17)21-6/h7-10,14-16,18,20H,11-13H2,1-6H3
InChIKeyOJKTVAMEWIQOBO-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
1-(2-methoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]propan-2-amine
CID 119165092
2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498326
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 104652788
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
1-(2-methoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propan-2-amine
CID 119165186
1-(2-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115710214

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine (CID 63452997) is N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine is COc1ccccc1CC(C)NC(CC(C)C)CC(C)C.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine?
The InChIKey is OJKTVAMEWIQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(2)11-18(12-15(3)4)20-16(5)13-17-9-7-8-10-19(17)21-6/h7-10,14-16,18,20H,11-13H2,1-6H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine?
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine has a molecular weight of 291.48 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 63452997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).