(3-bromophenyl)-cyclopropylmethanamine;hydrochloride

C10H13BrClN — CID 166600425

IUPAC(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
SMILESCl.NC(c1cccc(Br)c1)C1CC1
InChIInChI=1S/C10H12BrN.ClH/c11-9-3-1-2-8(6-9)10(12)7-4-5-7;/h1-3,6-7,10H,4-5,12H2;1H
InChIKeyCWSALKKLUXNOJR-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.28
Rot. Bonds2

About (3-bromophenyl)-cyclopropylmethanamine;hydrochloride

(3-bromophenyl)-cyclopropylmethanamine;hydrochloride (PubChem CID 166600425) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is (3-bromophenyl)-cyclopropylmethanamine;hydrochloride.

Molecular Properties

Compound Name(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
PubChem CID166600425
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
SMILESCl.NC(c1cccc(Br)c1)C1CC1
InChIInChI=1S/C10H12BrN.ClH/c11-9-3-1-2-8(6-9)10(12)7-4-5-7;/h1-3,6-7,10H,4-5,12H2;1H
InChIKeyCWSALKKLUXNOJR-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
(3-bromophenyl)-(oxan-4-yl)methanamine
CID 63934860
3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine
CID 116937412
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
3-[(S)-amino(cyclobutyl)methyl]phenol;hydrochloride
CID 171218060
(R)-cyclobutyl-(3-fluorophenyl)methanamine;hydrochloride
CID 171199154
(R)-cyclobutyl-(3-propan-2-ylphenyl)methanamine;hydrochloride
CID 171211996

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-cyclopropylmethanamine;hydrochloride?
The IUPAC name of (3-bromophenyl)-cyclopropylmethanamine;hydrochloride (CID 166600425) is (3-bromophenyl)-cyclopropylmethanamine;hydrochloride.
What is the SMILES notation for (3-bromophenyl)-cyclopropylmethanamine;hydrochloride?
The canonical SMILES for (3-bromophenyl)-cyclopropylmethanamine;hydrochloride is Cl.NC(c1cccc(Br)c1)C1CC1.
What is the InChIKey of (3-bromophenyl)-cyclopropylmethanamine;hydrochloride?
The InChIKey is CWSALKKLUXNOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c11-9-3-1-2-8(6-9)10(12)7-4-5-7;/h1-3,6-7,10H,4-5,12H2;1H.
What are the key properties of (3-bromophenyl)-cyclopropylmethanamine;hydrochloride?
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-cyclopropylmethanamine;hydrochloride is sourced from PubChem (CID 166600425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).