(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine

C17H19Cl2N — CID 81360674

IUPAC(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NC(C)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-11-5-4-6-14(9-11)12(2)20-13(3)16-10-15(18)7-8-17(16)19/h4-10,12-13,20H,1-3H3/t12-,13?/m0/s1
InChIKeyVCEJUVIUJOQQQH-UEWDXFNNSA-N
MW308.25 g/mol
LogP5.71
Rot. Bonds4

About (1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine

(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81360674) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is (1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
PubChem CID81360674
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NC(C)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H19Cl2N/c1-11-5-4-6-14(9-11)12(2)20-13(3)16-10-15(18)7-8-17(16)19/h4-10,12-13,20H,1-3H3/t12-,13?/m0/s1
InChIKeyVCEJUVIUJOQQQH-UEWDXFNNSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3-methylphenyl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 81369437
(1S)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81369974
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43781909
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81378602
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 43767407

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine (CID 81360674) is (1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@H](C)NC(C)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is VCEJUVIUJOQQQH-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-11-5-4-6-14(9-11)12(2)20-13(3)16-10-15(18)7-8-17(16)19/h4-10,12-13,20H,1-3H3/t12-,13?/m0/s1.
What are the key properties of (1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 308.25 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2,5-dichlorophenyl)ethyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81360674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).