N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine

C23H26NP — CID 176994926

IUPACN-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine
SMILESCCc1ccc(Cc2cccc(C(P)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H26NP/c1-2-18-11-13-19(14-12-18)15-21-9-6-10-22(16-21)23(25)24-17-20-7-4-3-5-8-20/h3-14,16,23-24H,2,15,17,25H2,1H3
InChIKeyLELIHFOLKDEHJG-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.50
Rot. Bonds7

About N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine

N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine (PubChem CID 176994926) has the molecular formula C23H26NP and a molecular weight of 347.44 g/mol. Its IUPAC name is N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine
PubChem CID176994926
Molecular FormulaC23H26NP
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC NameN-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine
SMILESCCc1ccc(Cc2cccc(C(P)NCc3ccccc3)c2)cc1
InChIInChI=1S/C23H26NP/c1-2-18-11-13-19(14-12-18)15-21-9-6-10-22(16-21)23(25)24-17-20-7-4-3-5-8-20/h3-14,16,23-24H,2,15,17,25H2,1H3
InChIKeyLELIHFOLKDEHJG-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
1-benzyl-4-ethylbenzene;methane
CID 144571765
N-[(3-methylsulfanylphenyl)methyl]-1-phenyl-1-phosphanylmethanamine
CID 176995036
1-benzyl-3-butan-2-ylbenzene
CID 15748559
N'-benzyl-N-methyl-1-phenylmethanediamine
CID 118518516
N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 60709706
[3-[[[phenyl(phosphanyl)methyl]amino]methyl]phenyl] thiohypofluorite
CID 176995257
1-(3-benzylphenyl)ethanamine
CID 69109207
(Z)-1-[amino(butyl)amino]-4-[3-[(benzylamino)-phosphanylmethyl]phenyl]but-1-en-2-amine
CID 176994901
2-(3-benzylphenyl)propanal
CID 14882415
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-1-phosphanylmethanamine;ethane
CID 176995318
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine?
The IUPAC name of N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine (CID 176994926) is N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine.
What is the SMILES notation for N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine?
The canonical SMILES for N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine is CCc1ccc(Cc2cccc(C(P)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine?
The InChIKey is LELIHFOLKDEHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NP/c1-2-18-11-13-19(14-12-18)15-21-9-6-10-22(16-21)23(25)24-17-20-7-4-3-5-8-20/h3-14,16,23-24H,2,15,17,25H2,1H3.
What are the key properties of N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine?
N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine has a molecular weight of 347.44 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-[(4-ethylphenyl)methyl]phenyl]-1-phosphanylmethanamine is sourced from PubChem (CID 176994926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).