N-[(2-methylphenyl)methyl]butan-2-amine chloride

C12H19ClN- — CID 19629109

IUPACN-[(2-methylphenyl)methyl]butan-2-amine chloride
SMILESCCC(C)NCc1ccccc1C.[Cl-]
InChIInChI=1S/C12H19N.ClH/c1-4-11(3)13-9-12-8-6-5-7-10(12)2;/h5-8,11,13H,4,9H2,1-3H3;1H/p-1
InChIKeyJLTQCXZFAWKXSV-UHFFFAOYSA-M
MW212.74 g/mol
LogP-0.11
Rot. Bonds4

About N-[(2-methylphenyl)methyl]butan-2-amine chloride

N-[(2-methylphenyl)methyl]butan-2-amine chloride (PubChem CID 19629109) has the molecular formula C12H19ClN- and a molecular weight of 212.74 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]butan-2-amine chloride.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]butan-2-amine chloride
PubChem CID19629109
Molecular FormulaC12H19ClN-
Molecular Weight212.74 g/mol
Exact Mass212.12
IUPAC NameN-[(2-methylphenyl)methyl]butan-2-amine chloride
SMILESCCC(C)NCc1ccccc1C.[Cl-]
InChIInChI=1S/C12H19N.ClH/c1-4-11(3)13-9-12-8-6-5-7-10(12)2;/h5-8,11,13H,4,9H2,1-3H3;1H/p-1
InChIKeyJLTQCXZFAWKXSV-UHFFFAOYSA-M
XLogP-0.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.74
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 104867967
N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
CID 78928581
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51988522
N-[(2-phenylphenyl)methyl]butan-2-amine
CID 165473157
(2S)-N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993745
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide
CID 17201961
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 66535051
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]butan-2-amine chloride?
The IUPAC name of N-[(2-methylphenyl)methyl]butan-2-amine chloride (CID 19629109) is N-[(2-methylphenyl)methyl]butan-2-amine chloride.
What is the SMILES notation for N-[(2-methylphenyl)methyl]butan-2-amine chloride?
The canonical SMILES for N-[(2-methylphenyl)methyl]butan-2-amine chloride is CCC(C)NCc1ccccc1C.[Cl-].
What is the InChIKey of N-[(2-methylphenyl)methyl]butan-2-amine chloride?
The InChIKey is JLTQCXZFAWKXSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H19N.ClH/c1-4-11(3)13-9-12-8-6-5-7-10(12)2;/h5-8,11,13H,4,9H2,1-3H3;1H/p-1.
What are the key properties of N-[(2-methylphenyl)methyl]butan-2-amine chloride?
N-[(2-methylphenyl)methyl]butan-2-amine chloride has a molecular weight of 212.74 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]butan-2-amine chloride is sourced from PubChem (CID 19629109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).