2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline

C19H31NO — CID 115998703

IUPAC2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
SMILESCCCOc1ccccc1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C19H31NO/c1-6-11-21-17-10-8-7-9-16(17)20-15-12-18(2,3)14-19(4,5)13-15/h7-10,15,20H,6,11-14H2,1-5H3
InChIKeyOGPTZYWLTDDKFX-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.49
Rot. Bonds5

About 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline

2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline (PubChem CID 115998703) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline.

Molecular Properties

Compound Name2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
PubChem CID115998703
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
SMILESCCCOc1ccccc1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C19H31NO/c1-6-11-21-17-10-8-7-9-16(17)20-15-12-18(2,3)14-19(4,5)13-15/h7-10,15,20H,6,11-14H2,1-5H3
InChIKeyOGPTZYWLTDDKFX-UHFFFAOYSA-N
XLogP5.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline 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

N-(3,3-dimethylcyclopentyl)-2-propoxyaniline
CID 80705624
N-cyclohexyl-2-propoxyaniline
CID 43682292
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258
(1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 115400489
4,4-dimethyl-N-(2-propoxyphenyl)thian-3-amine
CID 79948163
N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline
CID 80706319
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
methyl 2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzoate
CID 115998672
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine
CID 107844538
1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
CID 113312751
3-ethoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998847

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The IUPAC name of 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline (CID 115998703) is 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline.
What is the SMILES notation for 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The canonical SMILES for 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline is CCCOc1ccccc1NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The InChIKey is OGPTZYWLTDDKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-11-21-17-10-8-7-9-16(17)20-15-12-18(2,3)14-19(4,5)13-15/h7-10,15,20H,6,11-14H2,1-5H3.
What are the key properties of 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline has a molecular weight of 289.46 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline is sourced from PubChem (CID 115998703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).