3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine

C18H31NO — CID 143259929

IUPAC3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
SMILESCOc1ccc(C)cc1C(C)CCN(C(C)C)C(C)C
InChIInChI=1S/C18H31NO/c1-13(2)19(14(3)4)11-10-16(6)17-12-15(5)8-9-18(17)20-7/h8-9,12-14,16H,10-11H2,1-7H3
InChIKeyCLKXVKWAZUTNMH-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.62
Rot. Bonds7

About 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine

3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine (PubChem CID 143259929) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
PubChem CID143259929
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
SMILESCOc1ccc(C)cc1C(C)CCN(C(C)C)C(C)C
InChIInChI=1S/C18H31NO/c1-13(2)19(14(3)4)11-10-16(6)17-12-15(5)8-9-18(17)20-7/h8-9,12-14,16H,10-11H2,1-7H3
InChIKeyCLKXVKWAZUTNMH-UHFFFAOYSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-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

(3R)-3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine;hydrobromide
CID 67440218
3-(2-ethyl-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
CID 143259927
2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
CID 13450101
(E)-but-2-enedioic acid;3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 45357480
3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine
CID 70865011
2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
CID 83933072
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729
N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43406710
2-(2-methoxy-5-methylphenyl)octane-4,5-diol
CID 83933104
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine (CID 143259929) is 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine is COc1ccc(C)cc1C(C)CCN(C(C)C)C(C)C.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine?
The InChIKey is CLKXVKWAZUTNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)19(14(3)4)11-10-16(6)17-12-15(5)8-9-18(17)20-7/h8-9,12-14,16H,10-11H2,1-7H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine?
3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine is sourced from PubChem (CID 143259929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).