N-methyl-1-phenylmethanamine;hydrate;hydrochloride

C8H14ClNO — CID 174315758

IUPACN-methyl-1-phenylmethanamine;hydrate;hydrochloride
SMILESCNCc1ccccc1.Cl.O
InChIInChI=1S/C8H11N.ClH.H2O/c1-9-7-8-5-3-2-4-6-8;;/h2-6,9H,7H2,1H3;1H;1H2
InChIKeyLEJYOFIXQQEUBB-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.00
Rot. Bonds2

About N-methyl-1-phenylmethanamine;hydrate;hydrochloride

N-methyl-1-phenylmethanamine;hydrate;hydrochloride (PubChem CID 174315758) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is N-methyl-1-phenylmethanamine;hydrate;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-phenylmethanamine;hydrate;hydrochloride
PubChem CID174315758
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC NameN-methyl-1-phenylmethanamine;hydrate;hydrochloride
SMILESCNCc1ccccc1.Cl.O
InChIInChI=1S/C8H11N.ClH.H2O/c1-9-7-8-5-3-2-4-6-8;;/h2-6,9H,7H2,1H3;1H;1H2
InChIKeyLEJYOFIXQQEUBB-UHFFFAOYSA-N
XLogP1.00
TPSA43.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 134979061
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
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2,3-dihydro-1H-isoindole;N-methyl-1-phenylmethanamine
CID 158445825
N-benzyl-N-methylethanamine;N-methyl-1-phenylmethanamine
CID 142094869
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
ethane;N-methylcyclohexanamine;N-methyl-1-phenylmethanamine
CID 162733997
(E)-but-2-enoic acid;N-methyl-1-phenylmethanamine
CID 171506749
bis(N-methyl-1-phenylmethanamine);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 173404118
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605
N-methyl-1-phenylmethanamine;N-(2-methylpropyl)aniline;molecular hydrogen
CID 156868547

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylmethanamine;hydrate;hydrochloride?
The IUPAC name of N-methyl-1-phenylmethanamine;hydrate;hydrochloride (CID 174315758) is N-methyl-1-phenylmethanamine;hydrate;hydrochloride.
What is the SMILES notation for N-methyl-1-phenylmethanamine;hydrate;hydrochloride?
The canonical SMILES for N-methyl-1-phenylmethanamine;hydrate;hydrochloride is CNCc1ccccc1.Cl.O.
What is the InChIKey of N-methyl-1-phenylmethanamine;hydrate;hydrochloride?
The InChIKey is LEJYOFIXQQEUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.ClH.H2O/c1-9-7-8-5-3-2-4-6-8;;/h2-6,9H,7H2,1H3;1H;1H2.
What are the key properties of N-methyl-1-phenylmethanamine;hydrate;hydrochloride?
N-methyl-1-phenylmethanamine;hydrate;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylmethanamine;hydrate;hydrochloride is sourced from PubChem (CID 174315758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).