N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine

C19H25NO — CID 63416441

IUPACN-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H25NO/c1-4-12-20-19(14-21-18-8-6-5-7-9-18)17-11-10-15(2)16(3)13-17/h5-11,13,19-20H,4,12,14H2,1-3H3
InChIKeyGKIHQAFKYWTLAE-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.42
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine

N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine (PubChem CID 63416441) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
PubChem CID63416441
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
SMILESCCCNC(COc1ccccc1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H25NO/c1-4-12-20-19(14-21-18-8-6-5-7-9-18)17-11-10-15(2)16(3)13-17/h5-11,13,19-20H,4,12,14H2,1-3H3
InChIKeyGKIHQAFKYWTLAE-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416707
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
N-[1-(2,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416221
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
CID 63473815
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
CID 62800553
1-(3,4-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43493981
N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43494023
N-(2-phenoxy-1-pyrazin-2-ylethyl)propan-1-amine
CID 63969223
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
methyl 3-(3,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235819

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine (CID 63416441) is N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine is CCCNC(COc1ccccc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine?
The InChIKey is GKIHQAFKYWTLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-12-20-19(14-21-18-8-6-5-7-9-18)17-11-10-15(2)16(3)13-17/h5-11,13,19-20H,4,12,14H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine?
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine is sourced from PubChem (CID 63416441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).