N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride

C14H15BrClN — CID 172883004

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride
SMILESC[C@H](Nc1ccccc1)c1ccccc1Br.Cl
InChIInChI=1S/C14H14BrN.ClH/c1-11(13-9-5-6-10-14(13)15)16-12-7-3-2-4-8-12;/h2-11,16H,1H3;1H/t11-;/m0./s1
InChIKeyZUYBUBGCDBZXDC-MERQFXBCSA-N
MW312.64 g/mol
LogP5.04
Rot. Bonds3

About N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride

N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride (PubChem CID 172883004) has the molecular formula C14H15BrClN and a molecular weight of 312.64 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride
PubChem CID172883004
Molecular FormulaC14H15BrClN
Molecular Weight312.64 g/mol
Exact Mass311.01
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride
SMILESC[C@H](Nc1ccccc1)c1ccccc1Br.Cl
InChIInChI=1S/C14H14BrN.ClH/c1-11(13-9-5-6-10-14(13)15)16-12-7-3-2-4-8-12;/h2-11,16H,1H3;1H/t11-;/m0./s1
InChIKeyZUYBUBGCDBZXDC-MERQFXBCSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.64
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-4-propylaniline
CID 43097008
N-[1-(2-bromophenyl)ethyl]-4-butan-2-ylaniline
CID 43681132
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate
CID 43730312
[3-[1-(2-bromophenyl)ethylamino]phenyl]methanol
CID 43715152
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
N-[1-(2-bromophenyl)ethyl]-3-nitroaniline
CID 43718031
N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline
CID 43095156
5-N-[1-(2-bromophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690592
ethyl 3-[1-(2-bromophenyl)ethylamino]benzoate;hydrochloride
CID 172883178
N-[1-(2-bromophenyl)ethyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63455430
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride (CID 172883004) is N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride is C[C@H](Nc1ccccc1)c1ccccc1Br.Cl.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride?
The InChIKey is ZUYBUBGCDBZXDC-MERQFXBCSA-N. The full InChI is InChI=1S/C14H14BrN.ClH/c1-11(13-9-5-6-10-14(13)15)16-12-7-3-2-4-8-12;/h2-11,16H,1H3;1H/t11-;/m0./s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride?
N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride has a molecular weight of 312.64 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]aniline;hydrochloride is sourced from PubChem (CID 172883004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).