N-[(2-bromophenyl)methyl]propan-2-amine chloride

C10H14BrClN- — CID 19629100

IUPACN-[(2-bromophenyl)methyl]propan-2-amine chloride
SMILESCC(C)NCc1ccccc1Br.[Cl-]
InChIInChI=1S/C10H14BrN.ClH/c1-8(2)12-7-9-5-3-4-6-10(9)11;/h3-6,8,12H,7H2,1-2H3;1H/p-1
InChIKeyISRZFIVELQZMSB-UHFFFAOYSA-M
MW263.59 g/mol
LogP-0.05
Rot. Bonds3

About N-[(2-bromophenyl)methyl]propan-2-amine chloride

N-[(2-bromophenyl)methyl]propan-2-amine chloride (PubChem CID 19629100) has the molecular formula C10H14BrClN- and a molecular weight of 263.59 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]propan-2-amine chloride.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]propan-2-amine chloride
PubChem CID19629100
Molecular FormulaC10H14BrClN-
Molecular Weight263.59 g/mol
Exact Mass262.00
IUPAC NameN-[(2-bromophenyl)methyl]propan-2-amine chloride
SMILESCC(C)NCc1ccccc1Br.[Cl-]
InChIInChI=1S/C10H14BrN.ClH/c1-8(2)12-7-9-5-3-4-6-10(9)11;/h3-6,8,12H,7H2,1-2H3;1H/p-1
InChIKeyISRZFIVELQZMSB-UHFFFAOYSA-M
XLogP-0.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.59
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
1-bromo-N-[(2-bromophenyl)methyl]propan-2-amine
CID 107859698
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
2-N-[(2-bromophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345179
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403749
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646431
N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 105075920
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66147990

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]propan-2-amine chloride?
The IUPAC name of N-[(2-bromophenyl)methyl]propan-2-amine chloride (CID 19629100) is N-[(2-bromophenyl)methyl]propan-2-amine chloride.
What is the SMILES notation for N-[(2-bromophenyl)methyl]propan-2-amine chloride?
The canonical SMILES for N-[(2-bromophenyl)methyl]propan-2-amine chloride is CC(C)NCc1ccccc1Br.[Cl-].
What is the InChIKey of N-[(2-bromophenyl)methyl]propan-2-amine chloride?
The InChIKey is ISRZFIVELQZMSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14BrN.ClH/c1-8(2)12-7-9-5-3-4-6-10(9)11;/h3-6,8,12H,7H2,1-2H3;1H/p-1.
What are the key properties of N-[(2-bromophenyl)methyl]propan-2-amine chloride?
N-[(2-bromophenyl)methyl]propan-2-amine chloride has a molecular weight of 263.59 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]propan-2-amine chloride is sourced from PubChem (CID 19629100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).