N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine

C17H18Br2ClN — CID 107973808

IUPACN-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1cc(Br)cc(Br)c1
InChIInChI=1S/C17H18Br2ClN/c1-2-7-21-17(10-12-5-3-4-6-16(12)20)13-8-14(18)11-15(19)9-13/h3-6,8-9,11,17,21H,2,7,10H2,1H3
InChIKeyGNYGUZPEDMKIGV-UHFFFAOYSA-N
MW431.60 g/mol
LogP6.15
Rot. Bonds6

About N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine

N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine (PubChem CID 107973808) has the molecular formula C17H18Br2ClN and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
PubChem CID107973808
Molecular FormulaC17H18Br2ClN
Molecular Weight431.60 g/mol
Exact Mass428.95
IUPAC NameN-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1cc(Br)cc(Br)c1
InChIInChI=1S/C17H18Br2ClN/c1-2-7-21-17(10-12-5-3-4-6-16(12)20)13-8-14(18)11-15(19)9-13/h3-6,8-9,11,17,21H,2,7,10H2,1H3
InChIKeyGNYGUZPEDMKIGV-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-chlorophenyl)-1-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 63415367
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 63528586
N-[1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63528414
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 80532042
1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 107945139
N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
N-[1-(2-bromo-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63529110
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 115567846
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine (CID 107973808) is N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Cl)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine?
The InChIKey is GNYGUZPEDMKIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2ClN/c1-2-7-21-17(10-12-5-3-4-6-16(12)20)13-8-14(18)11-15(19)9-13/h3-6,8-9,11,17,21H,2,7,10H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine?
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine has a molecular weight of 431.60 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107973808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).