N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline

C18H29NO — CID 63477895

IUPACN-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline
SMILESCOc1ccc(NC2CCC(C(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-12-16(20-5)10-11-17(13)19-15-8-6-14(7-9-15)18(2,3)4/h10-12,14-15,19H,6-9H2,1-5H3
InChIKeyRZCNTQXELKAOPU-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.02
Rot. Bonds3

About N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline

N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline (PubChem CID 63477895) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline
PubChem CID63477895
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline
SMILESCOc1ccc(NC2CCC(C(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-12-16(20-5)10-11-17(13)19-15-8-6-14(7-9-15)18(2,3)4/h10-12,14-15,19H,6-9H2,1-5H3
InChIKeyRZCNTQXELKAOPU-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline 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-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
N-(4-methoxy-2-methylphenyl)-1-oxothian-4-amine
CID 62871144
N-(4-tert-butylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719899
N-(3-cyclopropylcyclohexyl)-4-methoxy-2-methylaniline
CID 64624422
N-[3-(4-bromophenyl)cyclobutyl]-4-methoxy-2-methylaniline
CID 63477720
N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62871140
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
2-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 63451354
2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline
CID 55193112
5-chloro-N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349039

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline (CID 63477895) is N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline is COc1ccc(NC2CCC(C(C)(C)C)CC2)c(C)c1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline?
The InChIKey is RZCNTQXELKAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-12-16(20-5)10-11-17(13)19-15-8-6-14(7-9-15)18(2,3)4/h10-12,14-15,19H,6-9H2,1-5H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline?
N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline has a molecular weight of 275.44 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline is sourced from PubChem (CID 63477895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).