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

C23H35NO — CID 70865011

IUPAC3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine
SMILESCOc1ccc(C)cc1C(CCN(C(C)C)C(C)C)C1=CC=CCC1
InChIInChI=1S/C23H35NO/c1-17(2)24(18(3)4)15-14-21(20-10-8-7-9-11-20)22-16-19(5)12-13-23(22)25-6/h7-8,10,12-13,16-18,21H,9,11,14-15H2,1-6H3
InChIKeyNXOOZYJPJMVREQ-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.87
Rot. Bonds8

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

3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 70865011) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine
PubChem CID70865011
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine
SMILESCOc1ccc(C)cc1C(CCN(C(C)C)C(C)C)C1=CC=CCC1
InChIInChI=1S/C23H35NO/c1-17(2)24(18(3)4)15-14-21(20-10-8-7-9-11-20)22-16-19(5)12-13-23(22)25-6/h7-8,10,12-13,16-18,21H,9,11,14-15H2,1-6H3
InChIKeyNXOOZYJPJMVREQ-UHFFFAOYSA-N
XLogP5.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-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-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)butan-1-amine
CID 143259929
(E)-but-2-enedioic acid;3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 45357480
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43406710
(3R)-3-(2,5-dimethylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 70989552
[2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenyl] N-ethylcarbamate
CID 123154670
N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 62505245
(3R)-4-[2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 24805247
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine (CID 70865011) is 3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine is COc1ccc(C)cc1C(CCN(C(C)C)C(C)C)C1=CC=CCC1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is NXOOZYJPJMVREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-17(2)24(18(3)4)15-14-21(20-10-8-7-9-11-20)22-16-19(5)12-13-23(22)25-6/h7-8,10,12-13,16-18,21H,9,11,14-15H2,1-6H3.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine?
3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 341.54 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-3-(2-methoxy-5-methylphenyl)-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 70865011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).