N-(cyclohexylmethyl)-3,4-dimethylaniline

C15H23N — CID 18778522

IUPACN-(cyclohexylmethyl)-3,4-dimethylaniline
SMILESCc1ccc(NCC2CCCCC2)cc1C
InChIInChI=1S/C15H23N/c1-12-8-9-15(10-13(12)2)16-11-14-6-4-3-5-7-14/h8-10,14,16H,3-7,11H2,1-2H3
InChIKeyYRDFOVOCOCXXGM-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.30
Rot. Bonds3

About N-(cyclohexylmethyl)-3,4-dimethylaniline

N-(cyclohexylmethyl)-3,4-dimethylaniline (PubChem CID 18778522) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3,4-dimethylaniline
PubChem CID18778522
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(cyclohexylmethyl)-3,4-dimethylaniline
SMILESCc1ccc(NCC2CCCCC2)cc1C
InChIInChI=1S/C15H23N/c1-12-8-9-15(10-13(12)2)16-11-14-6-4-3-5-7-14/h8-10,14,16H,3-7,11H2,1-2H3
InChIKeyYRDFOVOCOCXXGM-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol
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3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
N-(cyclopentylmethyl)-3,4-difluoroaniline
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1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
4-(cyclooctylmethylamino)phenol
CID 53404225
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
4-bromo-N-(cyclooctylmethyl)-3-iodoaniline
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CID 114207702

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3,4-dimethylaniline?
The IUPAC name of N-(cyclohexylmethyl)-3,4-dimethylaniline (CID 18778522) is N-(cyclohexylmethyl)-3,4-dimethylaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-3,4-dimethylaniline?
The canonical SMILES for N-(cyclohexylmethyl)-3,4-dimethylaniline is Cc1ccc(NCC2CCCCC2)cc1C.
What is the InChIKey of N-(cyclohexylmethyl)-3,4-dimethylaniline?
The InChIKey is YRDFOVOCOCXXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-8-9-15(10-13(12)2)16-11-14-6-4-3-5-7-14/h8-10,14,16H,3-7,11H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-3,4-dimethylaniline?
N-(cyclohexylmethyl)-3,4-dimethylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3,4-dimethylaniline is sourced from PubChem (CID 18778522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).