[4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine

C19H25NO — CID 170299721

IUPAC[4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine
SMILESCCCc1cc(CN)ccc1COc1ccc(CC)cc1
InChIInChI=1S/C19H25NO/c1-3-5-17-12-16(13-20)6-9-18(17)14-21-19-10-7-15(4-2)8-11-19/h6-12H,3-5,13-14,20H2,1-2H3
InChIKeyKBHWVKMXTXRREL-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.24
Rot. Bonds7

About [4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine

[4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine (PubChem CID 170299721) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is [4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine
PubChem CID170299721
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name[4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine
SMILESCCCc1cc(CN)ccc1COc1ccc(CC)cc1
InChIInChI=1S/C19H25NO/c1-3-5-17-12-16(13-20)6-9-18(17)14-21-19-10-7-15(4-2)8-11-19/h6-12H,3-5,13-14,20H2,1-2H3
InChIKeyKBHWVKMXTXRREL-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565
[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479426
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
4-fluoro-2-[(4-propylphenoxy)methyl]aniline
CID 62548026
2-[[4-(4-ethylphenyl)phenoxy]methyl]benzene-1,4-diamine
CID 58289288
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
CID 169243522
[3-[(4-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 29282707
[3-bromo-4-[(4-butan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107668350
ethane;(4-ethylphenoxy)methanamine
CID 145400359

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine?
The IUPAC name of [4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine (CID 170299721) is [4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine.
What is the SMILES notation for [4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine?
The canonical SMILES for [4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine is CCCc1cc(CN)ccc1COc1ccc(CC)cc1.
What is the InChIKey of [4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine?
The InChIKey is KBHWVKMXTXRREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-5-17-12-16(13-20)6-9-18(17)14-21-19-10-7-15(4-2)8-11-19/h6-12H,3-5,13-14,20H2,1-2H3.
What are the key properties of [4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine?
[4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethylphenoxy)methyl]-3-propylphenyl]methanamine is sourced from PubChem (CID 170299721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).