N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine

C11H17BrN2 — CID 66568273

IUPACN'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2/c1-2-14(8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9,13H2,1H3
InChIKeyQCNRQHVGQKCOQI-UHFFFAOYSA-N
MW257.18 g/mol
LogP2.23
Rot. Bonds5

About N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine

N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 66568273) has the molecular formula C11H17BrN2 and a molecular weight of 257.18 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID66568273
Molecular FormulaC11H17BrN2
Molecular Weight257.18 g/mol
Exact Mass256.06
IUPAC NameN'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2/c1-2-14(8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9,13H2,1H3
InChIKeyQCNRQHVGQKCOQI-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 54986042
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102194
N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61348360
N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209
N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
N-[(4-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426449
N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine
CID 114231205
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
N'-benzyl-N-(4-bromophenyl)-N'-ethylethane-1,2-diamine
CID 63502514
N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
CID 62924012
N'-ethyl-N'-[(3-iodophenyl)methyl]ethane-1,2-diamine
CID 154733830

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine (CID 66568273) is N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1ccc(Br)cc1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is QCNRQHVGQKCOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-2-14(8-7-13)9-10-3-5-11(12)6-4-10/h3-6H,2,7-9,13H2,1H3.
What are the key properties of N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 257.18 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 66568273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).