(1S)-1-(4-bromophenyl)ethanamine;hydrochloride

C8H11BrClN — CID 53484870

IUPAC(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc(Br)cc1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H/t6-;/m0./s1
InChIKeyBQCAANUXMMQVAY-RGMNGODLSA-N
MW236.54 g/mol
LogP2.89
Rot. Bonds1

About (1S)-1-(4-bromophenyl)ethanamine;hydrochloride

(1S)-1-(4-bromophenyl)ethanamine;hydrochloride (PubChem CID 53484870) has the molecular formula C8H11BrClN and a molecular weight of 236.54 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
PubChem CID53484870
Molecular FormulaC8H11BrClN
Molecular Weight236.54 g/mol
Exact Mass234.98
IUPAC Name(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
SMILESC[C@H](N)c1ccc(Br)cc1.Cl
InChIInChI=1S/C8H10BrN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H/t6-;/m0./s1
InChIKeyBQCAANUXMMQVAY-RGMNGODLSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
1-[4-(1-aminoethyl)phenyl]-3-(4-bromophenyl)urea
CID 61340372
(4-bromophenyl)methanediamine
CID 68740698
(1S)-1-(4-bromophenyl)ethanamine;(1S)-1-naphthalen-1-ylethanamine
CID 22806370
4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 61415399
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
1-(4-bromophenyl)-1-fluoropropan-2-amine
CID 105490420
1-(3,5-dibromophenyl)ethanamine
CID 23147757
(1R)-1-(4-iodophenyl)ethanamine
CID 15930770

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)ethanamine;hydrochloride?
The IUPAC name of (1S)-1-(4-bromophenyl)ethanamine;hydrochloride (CID 53484870) is (1S)-1-(4-bromophenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-bromophenyl)ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-(4-bromophenyl)ethanamine;hydrochloride is C[C@H](N)c1ccc(Br)cc1.Cl.
What is the InChIKey of (1S)-1-(4-bromophenyl)ethanamine;hydrochloride?
The InChIKey is BQCAANUXMMQVAY-RGMNGODLSA-N. The full InChI is InChI=1S/C8H10BrN.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h2-6H,10H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (1S)-1-(4-bromophenyl)ethanamine;hydrochloride?
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride has a molecular weight of 236.54 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 53484870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).