5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline

C18H23BrN2 — CID 43281059

IUPAC5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCCN(c1ccccc1)c1cc(Br)ccc1CNC(C)C
InChIInChI=1S/C18H23BrN2/c1-4-21(17-8-6-5-7-9-17)18-12-16(19)11-10-15(18)13-20-14(2)3/h5-12,14,20H,4,13H2,1-3H3
InChIKeyOBFXYRHXBDLUSW-UHFFFAOYSA-N
MW347.30 g/mol
LogP5.11
Rot. Bonds6

About 5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline

5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 43281059) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
PubChem CID43281059
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCCN(c1ccccc1)c1cc(Br)ccc1CNC(C)C
InChIInChI=1S/C18H23BrN2/c1-4-21(17-8-6-5-7-9-17)18-12-16(19)11-10-15(18)13-20-14(2)3/h5-12,14,20H,4,13H2,1-3H3
InChIKeyOBFXYRHXBDLUSW-UHFFFAOYSA-N
XLogP5.11
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 ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-(N-ethylanilino)phenyl]methanol
CID 43365038
5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281562
5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551959
5-bromo-N-(2-methylpropyl)-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63553056
5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925172
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N-ethyl-1,3-dimethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281054
3-[2-(aminomethyl)-5-bromo-N-ethylanilino]phenol
CID 107733721
4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43313686
N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43283291
N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63550784
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553389

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline (CID 43281059) is 5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline is CCN(c1ccccc1)c1cc(Br)ccc1CNC(C)C.
What is the InChIKey of 5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is OBFXYRHXBDLUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-21(17-8-6-5-7-9-17)18-12-16(19)11-10-15(18)13-20-14(2)3/h5-12,14,20H,4,13H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 347.30 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 43281059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).