N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine

C14H23BrN2 — CID 54986042

IUPACN'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-4-17(10-9-16-12(2)3)11-13-5-7-14(15)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyITXYOECYPSORKL-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.27
Rot. Bonds7

About N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine

N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 54986042) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
PubChem CID54986042
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-4-17(10-9-16-12(2)3)11-13-5-7-14(15)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyITXYOECYPSORKL-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 55133810
N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 54986139
N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine
CID 105346595
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
N'-benzyl-N-(4-bromophenyl)-N'-ethylethane-1,2-diamine
CID 63502514
N'-[(4-bromophenyl)methyl]-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62556567
N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517
N'-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 64783778
N'-benzyl-N'-ethyl-N-heptan-2-ylethane-1,2-diamine
CID 63502856
N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 55070316
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-ethylpropan-1-amine
CID 102769494
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine (CID 54986042) is N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine is CCN(CCNC(C)C)Cc1ccc(Br)cc1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is ITXYOECYPSORKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-17(10-9-16-12(2)3)11-13-5-7-14(15)8-6-13/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.27, 7 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'-ethyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 54986042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).