4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline

C16H25ClN2 — CID 63532385

IUPAC4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
SMILESC[C@@H](N)c1ccc(N(C)CC2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-12(18)14-8-9-16(15(17)10-14)19(2)11-13-6-4-3-5-7-13/h8-10,12-13H,3-7,11,18H2,1-2H3/t12-/m1/s1
InChIKeyVAEDKSQIFQBTPY-GFCCVEGCSA-N
MW280.84 g/mol
LogP4.38
Rot. Bonds4

About 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline

4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline (PubChem CID 63532385) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
PubChem CID63532385
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline
SMILESC[C@@H](N)c1ccc(N(C)CC2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H25ClN2/c1-12(18)14-8-9-16(15(17)10-14)19(2)11-13-6-4-3-5-7-13/h8-10,12-13H,3-7,11,18H2,1-2H3/t12-/m1/s1
InChIKeyVAEDKSQIFQBTPY-GFCCVEGCSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 78948262
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 62912720
N'-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 78948201
2-(2-aminopropyl)-4-chloro-N-(cyclohexylmethyl)-N-methylaniline
CID 114861570
2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
CID 55132080
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 78935962
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985405
4-[(1R)-1-aminoethyl]-N-butyl-2-chloro-N-methylaniline
CID 63368308
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 78948266
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline (CID 63532385) is 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline is C[C@@H](N)c1ccc(N(C)CC2CCCCC2)c(Cl)c1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline?
The InChIKey is VAEDKSQIFQBTPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12(18)14-8-9-16(15(17)10-14)19(2)11-13-6-4-3-5-7-13/h8-10,12-13H,3-7,11,18H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline?
4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline has a molecular weight of 280.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-chloro-N-(cyclohexylmethyl)-N-methylaniline is sourced from PubChem (CID 63532385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).