N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline

C18H23BrN2 — CID 43750075

IUPACN-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline
SMILESCCC(Nc1ccccc1CN(C)C)c1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2/c1-4-17(14-9-11-16(19)12-10-14)20-18-8-6-5-7-15(18)13-21(2)3/h5-12,17,20H,4,13H2,1-3H3
InChIKeyISQOJYFUYWPQMK-UHFFFAOYSA-N
MW347.30 g/mol
LogP5.07
Rot. Bonds6

About N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline

N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline (PubChem CID 43750075) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline
PubChem CID43750075
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline
SMILESCCC(Nc1ccccc1CN(C)C)c1ccc(Br)cc1
InChIInChI=1S/C18H23BrN2/c1-4-17(14-9-11-16(19)12-10-14)20-18-8-6-5-7-15(18)13-21(2)3/h5-12,17,20H,4,13H2,1-3H3
InChIKeyISQOJYFUYWPQMK-UHFFFAOYSA-N
XLogP5.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62631645
2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
CID 103463971
N-[1-(4-bromophenyl)propyl]-2,3-dichloroaniline
CID 43102521
N-[1-(4-bromophenyl)propyl]-2-nitroaniline
CID 43218014
N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
N-[1-(4-bromophenyl)propyl]-2-chloropyridin-3-amine
CID 43689806
2-[(dimethylamino)methyl]-N-pentan-2-ylaniline
CID 43750163
2-[2-[(dimethylamino)methyl]anilino]butanoic acid
CID 115353025
[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
CID 43790534
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine
CID 43203759
N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline
CID 107167652
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
CID 43096177

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline (CID 43750075) is N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline is CCC(Nc1ccccc1CN(C)C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline?
The InChIKey is ISQOJYFUYWPQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-17(14-9-11-16(19)12-10-14)20-18-8-6-5-7-15(18)13-21(2)3/h5-12,17,20H,4,13H2,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline?
N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline has a molecular weight of 347.30 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-2-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 43750075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).