N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline

C19H29NO — CID 64623365

IUPACN-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline
SMILESCC(C)COc1cccc(NC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C19H29NO/c1-14(2)13-21-19-8-4-7-18(12-19)20-17-6-3-5-16(11-17)15-9-10-15/h4,7-8,12,14-17,20H,3,5-6,9-11,13H2,1-2H3
InChIKeyUQHJKKZJPOGQIG-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.10
Rot. Bonds6

About N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline

N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline (PubChem CID 64623365) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline
PubChem CID64623365
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline
SMILESCC(C)COc1cccc(NC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C19H29NO/c1-14(2)13-21-19-8-4-7-18(12-19)20-17-6-3-5-16(11-17)15-9-10-15/h4,7-8,12,14-17,20H,3,5-6,9-11,13H2,1-2H3
InChIKeyUQHJKKZJPOGQIG-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)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-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol
CID 106594336
1-methyl-N-[3-(2-methylpropoxy)phenyl]azepan-4-amine
CID 65070438
N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364370
2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine
CID 82727034
3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633639
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
N-(3-cyclopropylcyclohexyl)-3-[(dimethylamino)methyl]aniline
CID 64596213
1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
CID 79458462
2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81247137
2-[3-[(3-methylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721143

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline (CID 64623365) is N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline is CC(C)COc1cccc(NC2CCCC(C3CC3)C2)c1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline?
The InChIKey is UQHJKKZJPOGQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)13-21-19-8-4-7-18(12-19)20-17-6-3-5-16(11-17)15-9-10-15/h4,7-8,12,14-17,20H,3,5-6,9-11,13H2,1-2H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline?
N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline has a molecular weight of 287.45 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline is sourced from PubChem (CID 64623365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).