N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine

C18H21Cl2N — CID 63414967

IUPACN-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-3-9-21-18(11-14-6-4-5-13(2)10-14)15-7-8-16(19)17(20)12-15/h4-8,10,12,18,21H,3,9,11H2,1-2H3
InChIKeyGCHHQBHPEGJOSJ-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.59
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine

N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 63414967) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID63414967
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC NameN-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-3-9-21-18(11-14-6-4-5-13(2)10-14)15-7-8-16(19)17(20)12-15/h4-8,10,12,18,21H,3,9,11H2,1-2H3
InChIKeyGCHHQBHPEGJOSJ-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
N-[1-(4-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60798724
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
N-[2-(3,4-dichlorophenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 63528164
N-[1-(3-chloro-4-methylphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034419
N-[1-(2-chloro-6-fluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63528128
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114648961
1-(3-chloro-4-methoxyphenyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 62388356

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine (CID 63414967) is N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(C)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is GCHHQBHPEGJOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-9-21-18(11-14-6-4-5-13(2)10-14)15-7-8-16(19)17(20)12-15/h4-8,10,12,18,21H,3,9,11H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63414967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).