3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine

C17H29NO — CID 116758206

IUPAC3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1C)C(C)(CC)OC
InChIInChI=1S/C17H29NO/c1-6-12-18-16(17(4,7-2)19-5)13-15-11-9-8-10-14(15)3/h8-11,16,18H,6-7,12-13H2,1-5H3
InChIKeyUSOJVPZFLSMCFU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.72
Rot. Bonds8

About 3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine

3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine (PubChem CID 116758206) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
PubChem CID116758206
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1C)C(C)(CC)OC
InChIInChI=1S/C17H29NO/c1-6-12-18-16(17(4,7-2)19-5)13-15-11-9-8-10-14(15)3/h8-11,16,18H,6-7,12-13H2,1-5H3
InChIKeyUSOJVPZFLSMCFU-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116761381
1-(2,5-dimethylphenyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758355
3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116760324
3-methoxy-3-methyl-N-propyl-1-pyridin-2-ylpentan-2-amine
CID 116758123
2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
CID 116758324
3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
CID 116758375
3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 63528106
3-ethyl-1-(4-fluoro-2-methylphenyl)-3-methoxy-N-propylpentan-2-amine
CID 114348390
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
CID 63529109
3-[3-ethoxy-3-methyl-2-(propylamino)pentyl]pyridin-2-amine
CID 116759404
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine (CID 116758206) is 3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine is CCCNC(Cc1ccccc1C)C(C)(CC)OC.
What is the InChIKey of 3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is USOJVPZFLSMCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-12-18-16(17(4,7-2)19-5)13-15-11-9-8-10-14(15)3/h8-11,16,18H,6-7,12-13H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 116758206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).