N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine

C19H25NO — CID 60871822

IUPACN-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C19H25NO/c1-4-6-16-9-11-18(12-10-16)15(2)20-14-17-7-5-8-19(13-17)21-3/h5,7-13,15,20H,4,6,14H2,1-3H3
InChIKeyBZIOHYRBRJVDQY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.50
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine

N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine (PubChem CID 60871822) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
PubChem CID60871822
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCc2cccc(OC)c2)cc1
InChIInChI=1S/C19H25NO/c1-4-6-16-9-11-18(12-10-16)15(2)20-14-17-7-5-8-19(13-17)21-3/h5,7-13,15,20H,4,6,14H2,1-3H3
InChIKeyBZIOHYRBRJVDQY-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
3-[[1-(4-propylphenyl)ethylamino]methyl]benzonitrile
CID 60918212
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 43230853
N-ethyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43284865
1-methoxy-3-propylbenzene
CID 14270128
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
CID 43198146
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine (CID 60871822) is N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(C)NCc2cccc(OC)c2)cc1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine?
The InChIKey is BZIOHYRBRJVDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-6-16-9-11-18(12-10-16)15(2)20-14-17-7-5-8-19(13-17)21-3/h5,7-13,15,20H,4,6,14H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine?
N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 60871822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).