N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine

C17H18Cl3N — CID 81374924

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl3N/c1-3-17(14-9-8-12(18)10-16(14)20)21-11(2)13-6-4-5-7-15(13)19/h4-11,17,21H,3H2,1-2H3/t11-,17?/m1/s1
InChIKeySUCBOQBQNVYSAH-VCQTYVLVSA-N
MW342.70 g/mol
LogP6.45
Rot. Bonds5

About N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine

N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine (PubChem CID 81374924) has the molecular formula C17H18Cl3N and a molecular weight of 342.70 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
PubChem CID81374924
Molecular FormulaC17H18Cl3N
Molecular Weight342.70 g/mol
Exact Mass341.05
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
SMILESCCC(N[C@H](C)c1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl3N/c1-3-17(14-9-8-12(18)10-16(14)20)21-11(2)13-6-4-5-7-15(13)19/h4-11,17,21H,3H2,1-2H3/t11-,17?/m1/s1
InChIKeySUCBOQBQNVYSAH-VCQTYVLVSA-N
XLogP6.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.70
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43503382
N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine
CID 43503451
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602
methyl 2-[1-(2,4-dichlorophenyl)propylamino]propanoate
CID 60780834
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 81383700
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
3-[1-(2,4-dichlorophenyl)propylamino]butanamide
CID 113342534
2,4-dichloro-N-[1-(2-chlorophenyl)ethyl]aniline
CID 43081262
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine (CID 81374924) is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine is CCC(N[C@H](C)c1ccccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine?
The InChIKey is SUCBOQBQNVYSAH-VCQTYVLVSA-N. The full InChI is InChI=1S/C17H18Cl3N/c1-3-17(14-9-8-12(18)10-16(14)20)21-11(2)13-6-4-5-7-15(13)19/h4-11,17,21H,3H2,1-2H3/t11-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine?
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine has a molecular weight of 342.70 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 81374924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).