N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride

C14H18Cl2NP — CID 175096714

IUPACN-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride
SMILESCl.Cl.PN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C14H16NP.2ClH/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;;/h1-10H,11-12,16H2;2*1H
InChIKeySGWNBKJRAKGMEF-UHFFFAOYSA-N
MW302.19 g/mol
LogP4.32
Rot. Bonds4

About N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride

N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride (PubChem CID 175096714) has the molecular formula C14H18Cl2NP and a molecular weight of 302.19 g/mol. Its IUPAC name is N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride
PubChem CID175096714
Molecular FormulaC14H18Cl2NP
Molecular Weight302.19 g/mol
Exact Mass301.06
IUPAC NameN-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride
SMILESCl.Cl.PN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C14H16NP.2ClH/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;;/h1-10H,11-12,16H2;2*1H
InChIKeySGWNBKJRAKGMEF-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
N-benzyl-N-methanidyl-1-phenylmethanamine
CID 20756684
N-benzyl-1-phenyl-N-silylmethanamine
CID 173404902
N,N-dibenzyl-1,1-bis(phosphanyl)methanamine
CID 123812611
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dibenzylaniline
CID 139071697
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride
CID 155774731
N-benzyl-N-methylnitrous amide
CID 13643
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride?
The IUPAC name of N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride (CID 175096714) is N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride.
What is the SMILES notation for N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride?
The canonical SMILES for N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride is Cl.Cl.PN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride?
The InChIKey is SGWNBKJRAKGMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NP.2ClH/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;;/h1-10H,11-12,16H2;2*1H.
What are the key properties of N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride?
N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride has a molecular weight of 302.19 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride is sourced from PubChem (CID 175096714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).