1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine

C18H31NO2 — CID 103031290

IUPAC1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)C(OC)c1ccccc1
InChIInChI=1S/C18H31NO2/c1-6-14-19-16(12-13-18(2,3)21-5)17(20-4)15-10-8-7-9-11-15/h7-11,16-17,19H,6,12-14H2,1-5H3
InChIKeyLVWGHBVGJLCCIU-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.95
Rot. Bonds10

About 1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine

1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine (PubChem CID 103031290) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
PubChem CID103031290
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)C(OC)c1ccccc1
InChIInChI=1S/C18H31NO2/c1-6-14-19-16(12-13-18(2,3)21-5)17(20-4)15-10-8-7-9-11-15/h7-11,16-17,19H,6,12-14H2,1-5H3
InChIKeyLVWGHBVGJLCCIU-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
CID 116773236
1-ethoxy-5,5,5-trifluoro-1-phenyl-N-propylpentan-2-amine
CID 116773836
1-methoxy-1-phenyl-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 116773230
1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773234
1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine
CID 116773267
N-[2-(3-methoxy-3-methylbutoxy)-1-phenylethyl]propan-1-amine
CID 106665291
3-(furan-2-yl)-1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773231
7,7-dimethyl-3-phenyl-N-propyloctan-4-amine
CID 115849907
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
CID 103036085
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
2,6-dimethoxy-2,6-dimethyl-N-propylheptan-3-amine
CID 103032439

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine?
The IUPAC name of 1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine (CID 103031290) is 1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine.
What is the SMILES notation for 1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine?
The canonical SMILES for 1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)C(OC)c1ccccc1.
What is the InChIKey of 1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine?
The InChIKey is LVWGHBVGJLCCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-14-19-16(12-13-18(2,3)21-5)17(20-4)15-10-8-7-9-11-15/h7-11,16-17,19H,6,12-14H2,1-5H3.
What are the key properties of 1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine?
1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-5-methyl-1-phenyl-N-propylhexan-2-amine is sourced from PubChem (CID 103031290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).