4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline

C16H19BrN2 — CID 61415399

IUPAC4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
SMILESCC(N)c1ccc(N(C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H19BrN2/c1-12(18)14-5-9-16(10-6-14)19(2)11-13-3-7-15(17)8-4-13/h3-10,12H,11,18H2,1-2H3
InChIKeyGTWQWPIXAXMWBG-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.11
Rot. Bonds4

About 4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline

4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline (PubChem CID 61415399) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
PubChem CID61415399
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
SMILESCC(N)c1ccc(N(C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H19BrN2/c1-12(18)14-5-9-16(10-6-14)19(2)11-13-3-7-15(17)8-4-13/h3-10,12H,11,18H2,1-2H3
InChIKeyGTWQWPIXAXMWBG-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 63786890
N-[(4-bromophenyl)methyl]-4-(chloromethyl)-N-methylaniline
CID 63540991
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
4-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 78934700
4-[(1S)-1-aminoethyl]-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28802643
1-[4-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935182
N'-[4-(1-aminoethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63694558
4-N-[(4-bromophenyl)methyl]-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83004684
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-4-ethyl-N-methylaniline
CID 105347417
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 115199107
4-[(1S)-1-aminoethyl]-2-bromo-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 63532832

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline?
The IUPAC name of 4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline (CID 61415399) is 4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline is CC(N)c1ccc(N(C)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline?
The InChIKey is GTWQWPIXAXMWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12(18)14-5-9-16(10-6-14)19(2)11-13-3-7-15(17)8-4-13/h3-10,12H,11,18H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline?
4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline has a molecular weight of 319.25 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 61415399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).