N-[(2-methylphenyl)methyl]ethanamine;hydrochloride

C10H16ClN — CID 17293898

IUPACN-[(2-methylphenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1ccccc1C.Cl
InChIInChI=1S/C10H15N.ClH/c1-3-11-8-10-7-5-4-6-9(10)2;/h4-7,11H,3,8H2,1-2H3;1H
InChIKeyBUVYHLXIOFVXQG-UHFFFAOYSA-N
MW185.70 g/mol
LogP2.53
Rot. Bonds3

About N-[(2-methylphenyl)methyl]ethanamine;hydrochloride

N-[(2-methylphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17293898) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]ethanamine;hydrochloride
PubChem CID17293898
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC NameN-[(2-methylphenyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1ccccc1C.Cl
InChIInChI=1S/C10H15N.ClH/c1-3-11-8-10-7-5-4-6-9(10)2;/h4-7,11H,3,8H2,1-2H3;1H
InChIKeyBUVYHLXIOFVXQG-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
2-(ethylaminomethyl)phenol
CID 12995218
methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724
N-ethyl-N-[2-(ethylaminomethyl)phenyl]-2-methylaniline
CID 43280687
(2-methylphenyl)methylhydrazine;hydrochloride
CID 42940672
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-[2-(ethylamino)ethyl]-2-(2-methylphenyl)acetamide
CID 62658588
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 39247073
N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
N-[(2-iodophenyl)methyl]ethanamine
CID 15639059

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(2-methylphenyl)methyl]ethanamine;hydrochloride (CID 17293898) is N-[(2-methylphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(2-methylphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(2-methylphenyl)methyl]ethanamine;hydrochloride is CCNCc1ccccc1C.Cl.
What is the InChIKey of N-[(2-methylphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is BUVYHLXIOFVXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.ClH/c1-3-11-8-10-7-5-4-6-9(10)2;/h4-7,11H,3,8H2,1-2H3;1H.
What are the key properties of N-[(2-methylphenyl)methyl]ethanamine;hydrochloride?
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 185.70 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17293898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).