N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline

C28H42N2O2 — CID 153334069

IUPACN-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline
SMILESCOc1cc(C)ccc1NCC1CCOCC1.Cc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C14H21NO2.C14H21N/c1-11-3-4-13(14(9-11)16-2)15-10-12-5-7-17-8-6-12;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h3-4,9,12,15H,5-8,10H2,1-2H3;7-10,13,15H,2-6,11H2,1H3
InChIKeyZHHOGISHNRSWIZ-UHFFFAOYSA-N
MW438.66 g/mol
LogP6.83
Rot. Bonds7

About N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline

N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline (PubChem CID 153334069) has the molecular formula C28H42N2O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline
PubChem CID153334069
Molecular FormulaC28H42N2O2
Molecular Weight438.66 g/mol
Exact Mass438.32
IUPAC NameN-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline
SMILESCOc1cc(C)ccc1NCC1CCOCC1.Cc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C14H21NO2.C14H21N/c1-11-3-4-13(14(9-11)16-2)15-10-12-5-7-17-8-6-12;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h3-4,9,12,15H,5-8,10H2,1-2H3;7-10,13,15H,2-6,11H2,1H3
InChIKeyZHHOGISHNRSWIZ-UHFFFAOYSA-N
XLogP6.83
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)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-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline
CID 62384517
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine
CID 43370979
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
CID 43189804
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 106790346
[1-(2-methoxy-5-methylphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298761
5-chloro-N-(cyclohexylmethyl)-2-methoxyaniline
CID 43079026

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline?
The IUPAC name of N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline (CID 153334069) is N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline?
The canonical SMILES for N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline is COc1cc(C)ccc1NCC1CCOCC1.Cc1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline?
The InChIKey is ZHHOGISHNRSWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2.C14H21N/c1-11-3-4-13(14(9-11)16-2)15-10-12-5-7-17-8-6-12;1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h3-4,9,12,15H,5-8,10H2,1-2H3;7-10,13,15H,2-6,11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline?
N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline has a molecular weight of 438.66 g/mol, XLogP of 6.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methylaniline;2-methoxy-4-methyl-N-(oxan-4-ylmethyl)aniline is sourced from PubChem (CID 153334069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).