CID 11846062

C32H37NO2P — CID 11846062

IUPAC—
SMILESCOc1c(C)cc(P([C]2[CH][CH][CH][C]2[C@@H](c2ccccc2)N(C)C)c2cc(C)c(OC)c(C)c2)cc1C
InChIInChI=1S/C32H37NO2P/c1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25/h9-20,30H,1-8H3/t30-/m1/s1
InChIKeyXUWOZTNQYWCXED-SSEXGKCCSA-N
MW498.63 g/mol
LogP6.41
Rot. Bonds8

About CID 11846062

CID 11846062 (PubChem CID 11846062) has the molecular formula C32H37NO2P and a molecular weight of 498.63 g/mol.

Molecular Properties

Compound NameCID 11846062
PubChem CID11846062
Molecular FormulaC32H37NO2P
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name—
SMILESCOc1c(C)cc(P([C]2[CH][CH][CH][C]2[C@@H](c2ccccc2)N(C)C)c2cc(C)c(OC)c(C)c2)cc1C
InChIInChI=1S/C32H37NO2P/c1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25/h9-20,30H,1-8H3/t30-/m1/s1
InChIKeyXUWOZTNQYWCXED-SSEXGKCCSA-N
XLogP6.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyphenyl)phenyl]-N,N-dimethylmethanamine
CID 134140472
8,31-Bis[(2-methoxyphenyl)methyl]-15,24-dimethyl-8,15,24,31-tetrazatricyclo[31.2.2.23,6]nonatriaconta-1(35),3(39),4,6(38),33,36-hexaene
CID 11104775
N,N'-bis[6-[(2-methoxyphenyl)methyl-methylamino]hexyl]-N,N'-dimethyloctane-1,8-diamine
CID 44298537
N'-[(2-methoxyphenyl)methyl]-N-[[3-[[3-[[6-[(2-methoxyphenyl)methyl-nonylamino]hexylamino]methyl]phenyl]methyl]phenyl]methyl]hexane-1,6-diamine
CID 44340154
N-benzhydryl-N-(2-methoxybenzyl)amine
CID 1227321
N-ethyl-8-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]octan-1-amine
CID 127028913
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-3,3-diphenylprop-2-en-1-amine
CID 155689964
3,26-Bis[(2-methoxyphenyl)methyl]-10,19-dimethyl-3,10,19,26-tetrazabicyclo[26.2.2]dotriaconta-1(30),28,31-triene
CID 10996151
(R)-N-((2''-methoxybiphenyl-3-yl)methyl)-1-(3-methoxyphenyl)ethanamine
CID 49866002
1-[[3-(2-Methoxyphenyl)phenyl]methyl]-4-methylpiperidine
CID 134135372
1-(Diphenylmethyl)-4-(2-methoxybenzyl)piperazine
CID 4016321
1-(1-(2-Methoxyphenyl)-2-phenylethyl)piperidine
CID 67833251

Frequently Asked Questions

What is the IUPAC name of CID 11846062?
The IUPAC name of CID 11846062 (CID 11846062) is not available.
What is the SMILES notation for CID 11846062?
The canonical SMILES for CID 11846062 is COc1c(C)cc(P([C]2[CH][CH][CH][C]2[C@@H](c2ccccc2)N(C)C)c2cc(C)c(OC)c(C)c2)cc1C.
What is the InChIKey of CID 11846062?
The InChIKey is XUWOZTNQYWCXED-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H37NO2P/c1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25/h9-20,30H,1-8H3/t30-/m1/s1.
What are the key properties of CID 11846062?
CID 11846062 has a molecular weight of 498.63 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11846062 is sourced from PubChem (CID 11846062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).