3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol

C43H41NO3 — CID 70144042

IUPAC3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol
SMILESOC(CCN(Cc1ccccc1)Cc1ccccc1)(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C43H41NO3/c45-43(39-21-25-41(26-22-39)46-33-37-17-9-3-10-18-37,40-23-27-42(28-24-40)47-34-38-19-11-4-12-20-38)29-30-44(31-35-13-5-1-6-14-35)32-36-15-7-2-8-16-36/h1-28,45H,29-34H2
InChIKeyNJISJIVMMJPYQV-UHFFFAOYSA-N
MW619.81 g/mol
LogP9.17
Rot. Bonds15

About 3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol

3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol (PubChem CID 70144042) has the molecular formula C43H41NO3 and a molecular weight of 619.81 g/mol. Its IUPAC name is 3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol
PubChem CID70144042
Molecular FormulaC43H41NO3
Molecular Weight619.81 g/mol
Exact Mass619.31
IUPAC Name3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol
SMILESOC(CCN(Cc1ccccc1)Cc1ccccc1)(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C43H41NO3/c45-43(39-21-25-41(26-22-39)46-33-37-17-9-3-10-18-37,40-23-27-42(28-24-40)47-34-38-19-11-4-12-20-38)29-30-44(31-35-13-5-1-6-14-35)32-36-15-7-2-8-16-36/h1-28,45H,29-34H2
InChIKeyNJISJIVMMJPYQV-UHFFFAOYSA-N
XLogP9.17
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.81
LogP ≤ 59.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[4-[4-(dimethylamino)-1-hydroxy-1-phenylbutyl]phenoxy]methyl]phenyl]benzoic acid
CID 52949336
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 70515875
2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
CID 70515525
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
4-phenylmethoxybenzoic acid
CID 68896574
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
(2S)-2-[[4-[2-(dibenzylamino)ethoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 66912654

Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol (CID 70144042) is 3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol is OC(CCN(Cc1ccccc1)Cc1ccccc1)(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is NJISJIVMMJPYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H41NO3/c45-43(39-21-25-41(26-22-39)46-33-37-17-9-3-10-18-37,40-23-27-42(28-24-40)47-34-38-19-11-4-12-20-38)29-30-44(31-35-13-5-1-6-14-35)32-36-15-7-2-8-16-36/h1-28,45H,29-34H2.
What are the key properties of 3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol?
3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 619.81 g/mol, XLogP of 9.17, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)-1,1-bis(4-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 70144042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).