N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine

C26H29NO — CID 143896627

IUPACN-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine
SMILESC=C(Cc1ccccc1)N(C)CCC(Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C26H29NO/c1-21-12-10-11-17-25(21)28-26(24-15-8-5-9-16-24)18-19-27(3)22(2)20-23-13-6-4-7-14-23/h4-17,26H,2,18-20H2,1,3H3
InChIKeyPMOUNWMWLXPCEH-UHFFFAOYSA-N
MW371.52 g/mol
LogP6.19
Rot. Bonds9

About N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine

N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine (PubChem CID 143896627) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine
PubChem CID143896627
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC NameN-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine
SMILESC=C(Cc1ccccc1)N(C)CCC(Oc1ccccc1C)c1ccccc1
InChIInChI=1S/C26H29NO/c1-21-12-10-11-17-25(21)28-26(24-15-8-5-9-16-24)18-19-27(3)22(2)20-23-13-6-4-7-14-23/h4-17,26H,2,18-20H2,1,3H3
InChIKeyPMOUNWMWLXPCEH-UHFFFAOYSA-N
XLogP6.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
sodium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980199
potassium (3R)-N-benzyl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 15980198
N-dimethoxyphosphoryl-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 58600354
1-(3-chloro-1-phenylpropoxy)-2-methylbenzene
CID 14054163
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 54759816
N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
CID 3061511
[3-[2-(2-hydroxyethyl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
CID 138687817
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
[4-[3-(dimethylamino)-1-phenylpropoxy]-3-methylphenyl] acetate
CID 67067621
1-methyl-2-[(1R)-3-nitro-1-phenylpropoxy]benzene
CID 102389343
methanamine;1-methyl-2-(1-phenylpropoxy)benzene;hydrochloride
CID 175100899

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine (CID 143896627) is N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine is C=C(Cc1ccccc1)N(C)CCC(Oc1ccccc1C)c1ccccc1.
What is the InChIKey of N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine?
The InChIKey is PMOUNWMWLXPCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-21-12-10-11-17-25(21)28-26(24-15-8-5-9-16-24)18-19-27(3)22(2)20-23-13-6-4-7-14-23/h4-17,26H,2,18-20H2,1,3H3.
What are the key properties of N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine?
N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine has a molecular weight of 371.52 g/mol, XLogP of 6.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylphenoxy)-3-phenyl-N-(3-phenylprop-1-en-2-yl)propan-1-amine is sourced from PubChem (CID 143896627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).