2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine

C27H33NO — CID 143961238

IUPAC2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine
SMILESCCC(c1ccccc1)C(Cc1ccccc1)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C27H33NO/c1-4-26(23-13-9-6-10-14-23)27(21-22-11-7-5-8-12-22)24-15-17-25(18-16-24)29-20-19-28(2)3/h5-18,26-27H,4,19-21H2,1-3H3
InChIKeyHPBANQGAKCYIQZ-UHFFFAOYSA-N
MW387.57 g/mol
LogP6.15
Rot. Bonds10

About 2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine

2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine (PubChem CID 143961238) has the molecular formula C27H33NO and a molecular weight of 387.57 g/mol. Its IUPAC name is 2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine
PubChem CID143961238
Molecular FormulaC27H33NO
Molecular Weight387.57 g/mol
Exact Mass387.26
IUPAC Name2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine
SMILESCCC(c1ccccc1)C(Cc1ccccc1)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C27H33NO/c1-4-26(23-13-9-6-10-14-23)27(21-22-11-7-5-8-12-22)24-15-17-25(18-16-24)29-20-19-28(2)3/h5-18,26-27H,4,19-21H2,1-3H3
InChIKeyHPBANQGAKCYIQZ-UHFFFAOYSA-N
XLogP6.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1-(4-chlorophenyl)-2-phenylbutyl]phenoxy]-N,N-dimethylethanamine
CID 70013344
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol
CID 123134411
N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine
CID 143961107
(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 827396
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol
CID 123847593
N,N-dimethyl-2-[4-[(Z)-1-(4-phenylmethoxyphenyl)but-1-enyl]phenoxy]ethanamine
CID 67771766
N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
CID 173386567
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol
CID 67671283
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenylmethoxyphenyl)but-1-enyl]phenol
CID 70684715
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol
CID 175517595
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine (CID 143961238) is 2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine is CCC(c1ccccc1)C(Cc1ccccc1)c1ccc(OCCN(C)C)cc1.
What is the InChIKey of 2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is HPBANQGAKCYIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO/c1-4-26(23-13-9-6-10-14-23)27(21-22-11-7-5-8-12-22)24-15-17-25(18-16-24)29-20-19-28(2)3/h5-18,26-27H,4,19-21H2,1-3H3.
What are the key properties of 2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine?
2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 387.57 g/mol, XLogP of 6.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 143961238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).