N-[2-(cyclohexylmethoxy)ethyl]aniline

C15H23NO — CID 62582725

IUPACN-[2-(cyclohexylmethoxy)ethyl]aniline
SMILESc1ccc(NCCOCC2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-3-7-14(8-4-1)13-17-12-11-16-15-9-5-2-6-10-15/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13H2
InChIKeyUGGIPTJLQGISSP-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(cyclohexylmethoxy)ethyl]aniline

N-[2-(cyclohexylmethoxy)ethyl]aniline (PubChem CID 62582725) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[2-(cyclohexylmethoxy)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(cyclohexylmethoxy)ethyl]aniline
PubChem CID62582725
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[2-(cyclohexylmethoxy)ethyl]aniline
SMILESc1ccc(NCCOCC2CCCCC2)cc1
InChIInChI=1S/C15H23NO/c1-3-7-14(8-4-1)13-17-12-11-16-15-9-5-2-6-10-15/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13H2
InChIKeyUGGIPTJLQGISSP-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexylmethoxy)ethyl]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-[2-(cyclopentylmethoxy)ethyl]aniline
CID 66323368
N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline
CID 62584767
3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline
CID 63515430
N-(2-cycloundecylethyl)cyclodecapentaenamine
CID 155097457
N-(2-cyclotridecylethyl)cyclodecapentaenamine
CID 167244550
N-(2-cyclodecylethyl)cyclodecapentaenamine
CID 155323771
N-benzyl-3-(cyclohexylmethoxy)propan-1-amine
CID 114782937
N-[2-(cyclohexylmethoxy)propyl]aniline
CID 62584399
N-cycloheptyl-N'-phenylethane-1,2-diamine
CID 61149751
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
4-(cyclohexylmethoxy)-1-phenylbutan-1-one
CID 62382636
N-[2-(2-ethoxyethoxy)ethyl]aniline
CID 23009140

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethoxy)ethyl]aniline?
The IUPAC name of N-[2-(cyclohexylmethoxy)ethyl]aniline (CID 62582725) is N-[2-(cyclohexylmethoxy)ethyl]aniline.
What is the SMILES notation for N-[2-(cyclohexylmethoxy)ethyl]aniline?
The canonical SMILES for N-[2-(cyclohexylmethoxy)ethyl]aniline is c1ccc(NCCOCC2CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexylmethoxy)ethyl]aniline?
The InChIKey is UGGIPTJLQGISSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-7-14(8-4-1)13-17-12-11-16-15-9-5-2-6-10-15/h2,5-6,9-10,14,16H,1,3-4,7-8,11-13H2.
What are the key properties of N-[2-(cyclohexylmethoxy)ethyl]aniline?
N-[2-(cyclohexylmethoxy)ethyl]aniline has a molecular weight of 233.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethoxy)ethyl]aniline is sourced from PubChem (CID 62582725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).