N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine

C17H18Br2ClN — CID 81291663

IUPACN-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C17H18Br2ClN/c1-2-8-21-17(10-12-4-3-5-14(18)9-12)13-6-7-15(19)16(20)11-13/h3-7,9,11,17,21H,2,8,10H2,1H3
InChIKeyMQZUIIRWAKKGLS-UHFFFAOYSA-N
MW431.60 g/mol
LogP6.15
Rot. Bonds6

About N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine

N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine (PubChem CID 81291663) has the molecular formula C17H18Br2ClN and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
PubChem CID81291663
Molecular FormulaC17H18Br2ClN
Molecular Weight431.60 g/mol
Exact Mass428.95
IUPAC NameN-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C17H18Br2ClN/c1-2-8-21-17(10-12-4-3-5-14(18)9-12)13-6-7-15(19)16(20)11-13/h3-7,9,11,17,21H,2,8,10H2,1H3
InChIKeyMQZUIIRWAKKGLS-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-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-phenylethanamine
CID 81296107
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 102828771
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
CID 80534054
N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036522
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822956

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine (CID 81291663) is N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Br)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine?
The InChIKey is MQZUIIRWAKKGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2ClN/c1-2-8-21-17(10-12-4-3-5-14(18)9-12)13-6-7-15(19)16(20)11-13/h3-7,9,11,17,21H,2,8,10H2,1H3.
What are the key properties of N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine?
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)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-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 81291663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).