4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine

C18H31NO — CID 107893363

IUPAC4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
SMILESCCCNC(CCOc1cccc(C)c1)C(C)CCC
InChIInChI=1S/C18H31NO/c1-5-8-16(4)18(19-12-6-2)11-13-20-17-10-7-9-15(3)14-17/h7,9-10,14,16,18-19H,5-6,8,11-13H2,1-4H3
InChIKeyXOTXTBXEFGGJIP-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.57
Rot. Bonds10

About 4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine

4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine (PubChem CID 107893363) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
PubChem CID107893363
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
SMILESCCCNC(CCOc1cccc(C)c1)C(C)CCC
InChIInChI=1S/C18H31NO/c1-5-8-16(4)18(19-12-6-2)11-13-20-17-10-7-9-15(3)14-17/h7,9-10,14,16,18-19H,5-6,8,11-13H2,1-4H3
InChIKeyXOTXTBXEFGGJIP-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
CID 55013093
N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168560
1-(3-methylphenoxy)-N-propyloct-6-yn-3-amine
CID 105181630
4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434
3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 105155679
3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 105150138
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
1-(3-methylphenoxy)-N-propylbutan-2-amine
CID 62038069
5-methyl-1-(3-methylphenoxy)octan-3-ol
CID 105089801
1-(3-bromofuran-2-yl)-3-(3-methylphenoxy)-N-propylpropan-1-amine
CID 105150714
4-methyl-7-phenoxy-N-propylheptan-3-amine
CID 63560800

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine?
The IUPAC name of 4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine (CID 107893363) is 4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine.
What is the SMILES notation for 4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine?
The canonical SMILES for 4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine is CCCNC(CCOc1cccc(C)c1)C(C)CCC.
What is the InChIKey of 4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine?
The InChIKey is XOTXTBXEFGGJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-8-16(4)18(19-12-6-2)11-13-20-17-10-7-9-15(3)14-17/h7,9-10,14,16,18-19H,5-6,8,11-13H2,1-4H3.
What are the key properties of 4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine?
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine has a molecular weight of 277.45 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine is sourced from PubChem (CID 107893363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).