N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline

C16H25NO — CID 62584767

IUPACN-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline
SMILESCc1ccc(NCCOCC2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-14-7-9-16(10-8-14)17-11-12-18-13-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-13H2,1H3
InChIKeyNWNUOUJZKXFSNR-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.00
Rot. Bonds6

About N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline

N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline (PubChem CID 62584767) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline
PubChem CID62584767
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline
SMILESCc1ccc(NCCOCC2CCCCC2)cc1
InChIInChI=1S/C16H25NO/c1-14-7-9-16(10-8-14)17-11-12-18-13-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-13H2,1H3
InChIKeyNWNUOUJZKXFSNR-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexylmethoxy)ethyl]aniline
CID 62582725
N-[2-(cyclopentylmethoxy)ethyl]aniline
CID 66323368
3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline
CID 63515430
4-methyl-N-(2-pentoxyethyl)aniline
CID 62584140
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
4-methyl-N-(2-octoxyethyl)aniline
CID 55196858
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
N-(2-but-3-enoxyethyl)-4-methylaniline
CID 62599565
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 62599762
4-chloro-1-N-[2-(cyclohexylmethoxy)ethyl]-5-ethylbenzene-1,2-diamine
CID 166558335

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline (CID 62584767) is N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline is Cc1ccc(NCCOCC2CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline?
The InChIKey is NWNUOUJZKXFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-7-9-16(10-8-14)17-11-12-18-13-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-13H2,1H3.
What are the key properties of N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline?
N-[2-(cyclohexylmethoxy)ethyl]-4-methylaniline has a molecular weight of 247.38 g/mol, XLogP of 4.00, 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]-4-methylaniline is sourced from PubChem (CID 62584767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).