3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline

C18H29ClN2 — CID 63553038

IUPAC3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1c(Cl)cccc1N(C)CC1CCCCC1
InChIInChI=1S/C18H29ClN2/c1-14(2)20-12-16-17(19)10-7-11-18(16)21(3)13-15-8-5-4-6-9-15/h7,10-11,14-15,20H,4-6,8-9,12-13H2,1-3H3
InChIKeyPBGAINZUYMXRAS-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.85
Rot. Bonds6

About 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline

3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 63553038) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
PubChem CID63553038
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1c(Cl)cccc1N(C)CC1CCCCC1
InChIInChI=1S/C18H29ClN2/c1-14(2)20-12-16-17(19)10-7-11-18(16)21(3)13-15-8-5-4-6-9-15/h7,10-11,14-15,20H,4-6,8-9,12-13H2,1-3H3
InChIKeyPBGAINZUYMXRAS-UHFFFAOYSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]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

3-chloro-N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 63711397
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63552294
3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63552343
3-chloro-2-(chloromethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 55222137
2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63815860
3-chloro-N-methyl-N-pentan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 43572418
3-chloro-N-methyl-N-(2-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 63553262
3-chloro-2-(chloromethyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 63713629
N,N-dibutyl-3-chloro-2-[(propan-2-ylamino)methyl]aniline
CID 43281508
3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline
CID 55242058
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
CID 107399886
3-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82981120

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline (CID 63553038) is 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1c(Cl)cccc1N(C)CC1CCCCC1.
What is the InChIKey of 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is PBGAINZUYMXRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-14(2)20-12-16-17(19)10-7-11-18(16)21(3)13-15-8-5-4-6-9-15/h7,10-11,14-15,20H,4-6,8-9,12-13H2,1-3H3.
What are the key properties of 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline?
3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 308.90 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 63553038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).