1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C16H19BrN2 — CID 115375943

IUPAC1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCC(Nc1cccc(N(C)C)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2/c1-12(13-7-9-14(17)10-8-13)18-15-5-4-6-16(11-15)19(2)3/h4-12,18H,1-3H3
InChIKeyBBDZRCYKZGUELR-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.69
Rot. Bonds4

About 1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115375943) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115375943
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCC(Nc1cccc(N(C)C)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2/c1-12(13-7-9-14(17)10-8-13)18-15-5-4-6-16(11-15)19(2)3/h4-12,18H,1-3H3
InChIKeyBBDZRCYKZGUELR-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82964058
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
3-N-[1-(4-bromophenyl)ethyl]benzene-1,3-diamine
CID 54965501
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43762049
3-[1-(4-bromophenyl)ethylamino]benzoic acid
CID 43139392
3-[1-(4-bromophenyl)ethylamino]benzenesulfonamide
CID 43102327
N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
CID 43680266
3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine
CID 115376129
3-bromo-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-methylaniline
CID 63462952
3-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882994
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
CID 60935970

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115375943) is 1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is CC(Nc1cccc(N(C)C)c1)c1ccc(Br)cc1.
What is the InChIKey of 1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is BBDZRCYKZGUELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12(13-7-9-14(17)10-8-13)18-15-5-4-6-16(11-15)19(2)3/h4-12,18H,1-3H3.
What are the key properties of 1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 319.25 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-bromophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115375943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).