N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine

C19H25NO — CID 104659903

IUPACN-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1cccc(C)c1
InChIInChI=1S/C19H25NO/c1-4-13-21-18-12-7-6-11-17(18)19(20-5-2)16-10-8-9-15(3)14-16/h6-12,14,19-20H,4-5,13H2,1-3H3
InChIKeyLVBRCZVOJISRRT-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.48
Rot. Bonds7

About N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine

N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine (PubChem CID 104659903) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
PubChem CID104659903
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1cccc(C)c1
InChIInChI=1S/C19H25NO/c1-4-13-21-18-12-7-6-11-17(18)19(20-5-2)16-10-8-9-15(3)14-16/h6-12,14,19-20H,4-5,13H2,1-3H3
InChIKeyLVBRCZVOJISRRT-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
N-[(3-methylphenyl)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073
N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035800
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326
[(3-chlorophenyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105194583
1-(2,5-dimethylphenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035882
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
N-[(2-ethoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62801895
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
2-(3-methylphenyl)-1-(2-propoxyphenyl)ethanol
CID 104659511
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine (CID 104659903) is N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine is CCCOc1ccccc1C(NCC)c1cccc(C)c1.
What is the InChIKey of N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine?
The InChIKey is LVBRCZVOJISRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-13-21-18-12-7-6-11-17(18)19(20-5-2)16-10-8-9-15(3)14-16/h6-12,14,19-20H,4-5,13H2,1-3H3.
What are the key properties of N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine?
N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104659903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).