3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline

C18H27ClN2 — CID 63552294

IUPAC3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCN(CC1CCCCC1)c1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C18H27ClN2/c1-21(13-14-6-3-2-4-7-14)18-9-5-8-17(19)16(18)12-20-15-10-11-15/h5,8-9,14-15,20H,2-4,6-7,10-13H2,1H3
InChIKeyDNPFIQZLKNXCDS-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.61
Rot. Bonds6

About 3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline

3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline (PubChem CID 63552294) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
PubChem CID63552294
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
SMILESCN(CC1CCCCC1)c1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C18H27ClN2/c1-21(13-14-6-3-2-4-7-14)18-9-5-8-17(19)16(18)12-20-15-10-11-15/h5,8-9,14-15,20H,2-4,6-7,10-13H2,1H3
InChIKeyDNPFIQZLKNXCDS-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(cyclohexylmethyl)-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553038
3-chloro-2-(chloromethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 55222137
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61431824
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281893
3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63552343
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
2-[3-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375220
2-(2-aminobutyl)-3-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 63815860
2-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylaniline
CID 81149052
3-chloro-N-methyl-N-(oxan-4-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 63711397
3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527133
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline?
The IUPAC name of 3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline (CID 63552294) is 3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline.
What is the SMILES notation for 3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline?
The canonical SMILES for 3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline is CN(CC1CCCCC1)c1cccc(Cl)c1CNC1CC1.
What is the InChIKey of 3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline?
The InChIKey is DNPFIQZLKNXCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-21(13-14-6-3-2-4-7-14)18-9-5-8-17(19)16(18)12-20-15-10-11-15/h5,8-9,14-15,20H,2-4,6-7,10-13H2,1H3.
What are the key properties of 3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline?
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline has a molecular weight of 306.88 g/mol, XLogP of 4.61, 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)-2-[(cyclopropylamino)methyl]-N-methylaniline is sourced from PubChem (CID 63552294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).