1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine

C18H31NO — CID 83162309

IUPAC1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
SMILESCCCNC(CCCC(C)C)Cc1cccc(OC)c1
InChIInChI=1S/C18H31NO/c1-5-12-19-17(10-6-8-15(2)3)13-16-9-7-11-18(14-16)20-4/h7,9,11,14-15,17,19H,5-6,8,10,12-13H2,1-4H3
InChIKeyODYSEPQRWUWBIL-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.43
Rot. Bonds10

About 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine

1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine (PubChem CID 83162309) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
PubChem CID83162309
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
SMILESCCCNC(CCCC(C)C)Cc1cccc(OC)c1
InChIInChI=1S/C18H31NO/c1-5-12-19-17(10-6-8-15(2)3)13-16-9-7-11-18(14-16)20-4/h7,9,11,14-15,17,19H,5-6,8,10,12-13H2,1-4H3
InChIKeyODYSEPQRWUWBIL-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-6-methyl-N-propylheptan-2-amine
CID 83162303
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83148145
N-ethyl-1-(3-methoxyphenyl)octan-2-amine
CID 62602505
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105133867
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
CID 66038028
1-(6-methoxynaphthalen-2-yl)-N-propylpentan-2-amine
CID 22007044
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine (CID 83162309) is 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine is CCCNC(CCCC(C)C)Cc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine?
The InChIKey is ODYSEPQRWUWBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-12-19-17(10-6-8-15(2)3)13-16-9-7-11-18(14-16)20-4/h7,9,11,14-15,17,19H,5-6,8,10,12-13H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine?
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine is sourced from PubChem (CID 83162309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).