1,3-bis(4-bromophenyl)-N-propylpropan-2-amine

C18H21Br2N — CID 60818661

IUPAC1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C18H21Br2N/c1-2-11-21-18(12-14-3-7-16(19)8-4-14)13-15-5-9-17(20)10-6-15/h3-10,18,21H,2,11-13H2,1H3
InChIKeyJRWMIVJXJAXQME-UHFFFAOYSA-N
MW411.18 g/mol
LogP5.36
Rot. Bonds7

About 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine

1,3-bis(4-bromophenyl)-N-propylpropan-2-amine (PubChem CID 60818661) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
PubChem CID60818661
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC Name1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C18H21Br2N/c1-2-11-21-18(12-14-3-7-16(19)8-4-14)13-15-5-9-17(20)10-6-15/h3-10,18,21H,2,11-13H2,1H3
InChIKeyJRWMIVJXJAXQME-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-4-methyl-N-propylheptan-2-amine
CID 55185468
4-(4-bromophenyl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 113291352
1-(4-bromophenyl)-N-propylhept-5-yn-2-amine
CID 113455205
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(4-bromophenyl)-N-ethylpentan-2-amine
CID 60819872
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66055714
1-(4-bromophenyl)-N-ethylbutan-2-amine
CID 60819705
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
1-(4-bromophenyl)-N-methylpentan-2-amine
CID 60818837
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
CID 63412914
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine (CID 60818661) is 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine?
The InChIKey is JRWMIVJXJAXQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2N/c1-2-11-21-18(12-14-3-7-16(19)8-4-14)13-15-5-9-17(20)10-6-15/h3-10,18,21H,2,11-13H2,1H3.
What are the key properties of 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine?
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine has a molecular weight of 411.18 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-bromophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 60818661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).