N-benzyl-1-phenylmethanamine;dichlorotitanium

C14H15Cl2NTi — CID 174633271

IUPACN-benzyl-1-phenylmethanamine;dichlorotitanium
SMILESCl[Ti]Cl.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.2ClH.Ti/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;;/h1-10,15H,11-12H2;2*1H;/q;;;+2/p-2
InChIKeyDLNLMNWWWQBWBN-UHFFFAOYSA-L
MW316.05 g/mol
LogP4.35
Rot. Bonds4

About N-benzyl-1-phenylmethanamine;dichlorotitanium

N-benzyl-1-phenylmethanamine;dichlorotitanium (PubChem CID 174633271) has the molecular formula C14H15Cl2NTi and a molecular weight of 316.05 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;dichlorotitanium.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;dichlorotitanium
PubChem CID174633271
Molecular FormulaC14H15Cl2NTi
Molecular Weight316.05 g/mol
Exact Mass315.01
IUPAC NameN-benzyl-1-phenylmethanamine;dichlorotitanium
SMILESCl[Ti]Cl.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.2ClH.Ti/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;;/h1-10,15H,11-12H2;2*1H;/q;;;+2/p-2
InChIKeyDLNLMNWWWQBWBN-UHFFFAOYSA-L
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.05
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605
(benzylamino)methanethiol
CID 88942779
4-[(benzylamino)methyl]-2,6-dichloroaniline
CID 82833040
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
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
N-benzyl-1-(cyclobuten-1-yl)methanamine
CID 57315844

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;dichlorotitanium?
The IUPAC name of N-benzyl-1-phenylmethanamine;dichlorotitanium (CID 174633271) is N-benzyl-1-phenylmethanamine;dichlorotitanium.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;dichlorotitanium?
The canonical SMILES for N-benzyl-1-phenylmethanamine;dichlorotitanium is Cl[Ti]Cl.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;dichlorotitanium?
The InChIKey is DLNLMNWWWQBWBN-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H15N.2ClH.Ti/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;;/h1-10,15H,11-12H2;2*1H;/q;;;+2/p-2.
What are the key properties of N-benzyl-1-phenylmethanamine;dichlorotitanium?
N-benzyl-1-phenylmethanamine;dichlorotitanium has a molecular weight of 316.05 g/mol, XLogP of 4.35, 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;dichlorotitanium is sourced from PubChem (CID 174633271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).