3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline

C15H23ClN2 — CID 55242058

IUPAC3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1c(N)cccc1Cl)CC1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-18(10-12-6-3-2-4-7-12)11-13-14(16)8-5-9-15(13)17/h5,8-9,12H,2-4,6-7,10-11,17H2,1H3
InChIKeyNQKBYWYNJYZYJQ-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.93
Rot. Bonds4

About 3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline

3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline (PubChem CID 55242058) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline
PubChem CID55242058
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1c(N)cccc1Cl)CC1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-18(10-12-6-3-2-4-7-12)11-13-14(16)8-5-9-15(13)17/h5,8-9,12H,2-4,6-7,10-11,17H2,1H3
InChIKeyNQKBYWYNJYZYJQ-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82981120
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
3-chloro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55241864
3-chloro-2-(chloromethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 55222137
5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 63632089
2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 55241095
3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553038
3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine
CID 63657165
2-[[(4-bromophenyl)methyl-methylamino]methyl]-3-chloroaniline
CID 63745066
2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63815860
3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 81053515

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline?
The IUPAC name of 3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline (CID 55242058) is 3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline is CN(Cc1c(N)cccc1Cl)CC1CCCCC1.
What is the InChIKey of 3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline?
The InChIKey is NQKBYWYNJYZYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-18(10-12-6-3-2-4-7-12)11-13-14(16)8-5-9-15(13)17/h5,8-9,12H,2-4,6-7,10-11,17H2,1H3.
What are the key properties of 3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline?
3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline has a molecular weight of 266.82 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 55242058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).