1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine

C14H20BrClN2 — CID 82779425

IUPAC1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(Br)cc1Cl)CC1CC1
InChIInChI=1S/C14H20BrClN2/c1-18(9-10-2-3-10)7-6-14(17)12-5-4-11(15)8-13(12)16/h4-5,8,10,14H,2-3,6-7,9,17H2,1H3
InChIKeyZAOMIUKJNVVCPC-UHFFFAOYSA-N
MW331.69 g/mol
LogP3.83
Rot. Bonds6

About 1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine

1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine (PubChem CID 82779425) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine
PubChem CID82779425
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(Br)cc1Cl)CC1CC1
InChIInChI=1S/C14H20BrClN2/c1-18(9-10-2-3-10)7-6-14(17)12-5-4-11(15)8-13(12)16/h4-5,8,10,14H,2-3,6-7,9,17H2,1H3
InChIKeyZAOMIUKJNVVCPC-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 82780047
2-[[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 82778830
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylpropane-1,3-diamine
CID 82776656
(1S)-1-(4-bromo-2-chlorophenyl)hexan-1-amine
CID 171223632
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
1-(4-bromo-2-chlorophenyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 82777674
1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502648
1-(4-bromo-2-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82780041
1-[3-amino-3-(4-bromo-2-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102967113
1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 82780236
1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274523
1-(4-bromo-2-chlorophenyl)-3-(2-methylazepan-1-yl)propan-1-amine
CID 82781669

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine (CID 82779425) is 1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine is CN(CCC(N)c1ccc(Br)cc1Cl)CC1CC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is ZAOMIUKJNVVCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-18(9-10-2-3-10)7-6-14(17)12-5-4-11(15)8-13(12)16/h4-5,8,10,14H,2-3,6-7,9,17H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine?
1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 331.69 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 82779425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).