N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine

C24H27NO2 — CID 3061511

IUPACN,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
SMILESCN(C)CCC(Oc1ccccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-25(2)18-17-22(21-13-7-4-8-14-21)27-24-16-10-9-15-23(24)26-19-20-11-5-3-6-12-20/h3-16,22H,17-19H2,1-2H3
InChIKeyDOLQMPKGEINGIB-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.34
Rot. Bonds9

About N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine

N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine (PubChem CID 3061511) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
PubChem CID3061511
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
SMILESCN(C)CCC(Oc1ccccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-25(2)18-17-22(21-13-7-4-8-14-21)27-24-16-10-9-15-23(24)26-19-20-11-5-3-6-12-20/h3-16,22H,17-19H2,1-2H3
InChIKeyDOLQMPKGEINGIB-UHFFFAOYSA-N
XLogP5.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(3S)-3-phenyl-3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 1049225
potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198
sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980199
1-(1-bromoethoxy)-2-phenylmethoxybenzene
CID 89045446
1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
N,N-dimethyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine;oxalic acid
CID 12807425
2-[4-[(1R)-3-(dimethylamino)-1-phenylpropoxy]-3-methoxyphenyl]-2-hydroxy-1-phenylethanone
CID 121407741
N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine
CID 143896627
2-[[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-methylamino]acetic acid
CID 101120687
[4-[3-(dimethylamino)-1-phenylpropoxy]-3-methylphenyl] acetate
CID 67067621
N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
CID 118530454
N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine (CID 3061511) is N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine is CN(C)CCC(Oc1ccccc1OCc1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine?
The InChIKey is DOLQMPKGEINGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-25(2)18-17-22(21-13-7-4-8-14-21)27-24-16-10-9-15-23(24)26-19-20-11-5-3-6-12-20/h3-16,22H,17-19H2,1-2H3.
What are the key properties of N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine?
N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine has a molecular weight of 361.49 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine is sourced from PubChem (CID 3061511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).