N-benzyl-1-phenylmethanamine;hydrate

C14H17NO — CID 173452781

IUPACN-benzyl-1-phenylmethanamine;hydrate
SMILESO.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.H2O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H2
InChIKeyABUWBFCEMHMCHY-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.15
Rot. Bonds4

About N-benzyl-1-phenylmethanamine;hydrate

N-benzyl-1-phenylmethanamine;hydrate (PubChem CID 173452781) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;hydrate.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;hydrate
PubChem CID173452781
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-benzyl-1-phenylmethanamine;hydrate
SMILESO.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.H2O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H2
InChIKeyABUWBFCEMHMCHY-UHFFFAOYSA-N
XLogP2.15
TPSA43.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605
(benzylamino)methanethiol
CID 88942779
N-benzylethanamine;tris(yttrium)
CID 158198357
2-[(benzylamino)methyl]phenol chloride
CID 53350489
N-[(4-diphenylphosphanylphenyl)methyl]-1-phenylmethanamine
CID 24878642
N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788
borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
N-benzyl-1-(cyclobuten-1-yl)methanamine
CID 57315844

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;hydrate?
The IUPAC name of N-benzyl-1-phenylmethanamine;hydrate (CID 173452781) is N-benzyl-1-phenylmethanamine;hydrate.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;hydrate?
The canonical SMILES for N-benzyl-1-phenylmethanamine;hydrate is O.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;hydrate?
The InChIKey is ABUWBFCEMHMCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.H2O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1-10,15H,11-12H2;1H2.
What are the key properties of N-benzyl-1-phenylmethanamine;hydrate?
N-benzyl-1-phenylmethanamine;hydrate has a molecular weight of 215.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;hydrate is sourced from PubChem (CID 173452781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).