ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine

C20H30NOP — CID 176995208

IUPACethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC.CC(C)Oc1ccc(CNC(P)Cc2ccccc2)cc1
InChIInChI=1S/C18H24NOP.C2H6/c1-14(2)20-17-10-8-16(9-11-17)13-19-18(21)12-15-6-4-3-5-7-15;1-2/h3-11,14,18-19H,12-13,21H2,1-2H3;1-2H3
InChIKeyZZPKGHMKTLCZSD-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.03
Rot. Bonds7

About ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine

ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 176995208) has the molecular formula C20H30NOP and a molecular weight of 331.44 g/mol. Its IUPAC name is ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Nameethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID176995208
Molecular FormulaC20H30NOP
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Nameethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC.CC(C)Oc1ccc(CNC(P)Cc2ccccc2)cc1
InChIInChI=1S/C18H24NOP.C2H6/c1-14(2)20-17-10-8-16(9-11-17)13-19-18(21)12-15-6-4-3-5-7-15;1-2/h3-11,14,18-19H,12-13,21H2,1-2H3;1-2H3
InChIKeyZZPKGHMKTLCZSD-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 120511546
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
CID 43756540
1-benzyl-2-methyl-3-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110954948
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300
[4-[[[phosphanyl-(4-propan-2-yloxyphenyl)methyl]amino]methyl]phenyl] thiohypofluorite
CID 176995168
N-[(4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415274

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 176995208) is ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine is CC.CC(C)Oc1ccc(CNC(P)Cc2ccccc2)cc1.
What is the InChIKey of ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is ZZPKGHMKTLCZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NOP.C2H6/c1-14(2)20-17-10-8-16(9-11-17)13-19-18(21)12-15-6-4-3-5-7-15;1-2/h3-11,14,18-19H,12-13,21H2,1-2H3;1-2H3.
What are the key properties of ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine?
ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 331.44 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 176995208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).