1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine

C18H31NO — CID 116773236

IUPAC1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
SMILESCCCNC(CC(C)CCC)C(OC)c1ccccc1
InChIInChI=1S/C18H31NO/c1-5-10-15(3)14-17(19-13-6-2)18(20-4)16-11-8-7-9-12-16/h7-9,11-12,15,17-19H,5-6,10,13-14H2,1-4H3
InChIKeyLLLIAMKGTDFRMJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.57
Rot. Bonds10

About 1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine

1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine (PubChem CID 116773236) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
PubChem CID116773236
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
SMILESCCCNC(CC(C)CCC)C(OC)c1ccccc1
InChIInChI=1S/C18H31NO/c1-5-10-15(3)14-17(19-13-6-2)18(20-4)16-11-8-7-9-12-16/h7-9,11-12,15,17-19H,5-6,10,13-14H2,1-4H3
InChIKeyLLLIAMKGTDFRMJ-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

1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773234
1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
CID 103031290
1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine
CID 116773267
1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 116773230
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
3-(furan-2-yl)-1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773231
4-methylheptan-2-ylbenzene
CID 21055597
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine
CID 116773836
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine
CID 116773278
1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
CID 116773842

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine?
The IUPAC name of 1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine (CID 116773236) is 1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine.
What is the SMILES notation for 1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine?
The canonical SMILES for 1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine is CCCNC(CC(C)CCC)C(OC)c1ccccc1.
What is the InChIKey of 1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine?
The InChIKey is LLLIAMKGTDFRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-10-15(3)14-17(19-13-6-2)18(20-4)16-11-8-7-9-12-16/h7-9,11-12,15,17-19H,5-6,10,13-14H2,1-4H3.
What are the key properties of 1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine?
1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-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 1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine is sourced from PubChem (CID 116773236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).