N-(cyclohexylmethyl)-4-propan-2-yloxyaniline

C16H25NO — CID 28969668

IUPACN-(cyclohexylmethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)18-16-10-8-15(9-11-16)17-12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3
InChIKeyGCBBRZQXUOPSNC-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.47
Rot. Bonds5

About N-(cyclohexylmethyl)-4-propan-2-yloxyaniline

N-(cyclohexylmethyl)-4-propan-2-yloxyaniline (PubChem CID 28969668) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-propan-2-yloxyaniline
PubChem CID28969668
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(cyclohexylmethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-13(2)18-16-10-8-15(9-11-16)17-12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3
InChIKeyGCBBRZQXUOPSNC-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.47
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-(cyclohexylmethyl)-4-propan-2-yloxyaniline 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-(cyclobutylmethyl)-4-propan-2-yloxyaniline
CID 65458952
4-butan-2-yloxy-N-(cyclohexylmethyl)aniline
CID 54802779
N-(cyclohexylmethyl)-4-(3-methylbutoxy)aniline
CID 54799314
4-(cyclooctylmethylamino)phenol
CID 53404225
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline
CID 115917457
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
CID 62064376
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 83228810
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 83229574
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(cyclohexylmethyl)-4-propan-2-yloxyaniline (CID 28969668) is N-(cyclohexylmethyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(cyclohexylmethyl)-4-propan-2-yloxyaniline is CC(C)Oc1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-propan-2-yloxyaniline?
The InChIKey is GCBBRZQXUOPSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)18-16-10-8-15(9-11-16)17-12-14-6-4-3-5-7-14/h8-11,13-14,17H,3-7,12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-4-propan-2-yloxyaniline?
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline has a molecular weight of 247.38 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 28969668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).