(2-ethylphenyl)-(2-propoxyphenyl)methanamine

C18H23NO — CID 105035937

IUPAC(2-ethylphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1ccccc1CC
InChIInChI=1S/C18H23NO/c1-3-13-20-17-12-8-7-11-16(17)18(19)15-10-6-5-9-14(15)4-2/h5-12,18H,3-4,13,19H2,1-2H3
InChIKeyVNEXLKAYJRTHJU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.09
Rot. Bonds6

About (2-ethylphenyl)-(2-propoxyphenyl)methanamine

(2-ethylphenyl)-(2-propoxyphenyl)methanamine (PubChem CID 105035937) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (2-ethylphenyl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-ethylphenyl)-(2-propoxyphenyl)methanamine
PubChem CID105035937
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(2-ethylphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1ccccc1CC
InChIInChI=1S/C18H23NO/c1-3-13-20-17-12-8-7-11-16(17)18(19)15-10-6-5-9-14(15)4-2/h5-12,18H,3-4,13,19H2,1-2H3
InChIKeyVNEXLKAYJRTHJU-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(2-bromo-5-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036012
1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine
CID 105035778
(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
(2-ethoxyphenyl)-(3-ethyl-2-pyridinyl)methanamine
CID 82729596
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
(4-bromo-2,6-difluorophenyl)-(2-propoxyphenyl)methanamine
CID 105036008
1-(2-propoxyphenyl)ethanol
CID 43503976

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (2-ethylphenyl)-(2-propoxyphenyl)methanamine (CID 105035937) is (2-ethylphenyl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (2-ethylphenyl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (2-ethylphenyl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1ccccc1CC.
What is the InChIKey of (2-ethylphenyl)-(2-propoxyphenyl)methanamine?
The InChIKey is VNEXLKAYJRTHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-13-20-17-12-8-7-11-16(17)18(19)15-10-6-5-9-14(15)4-2/h5-12,18H,3-4,13,19H2,1-2H3.
What are the key properties of (2-ethylphenyl)-(2-propoxyphenyl)methanamine?
(2-ethylphenyl)-(2-propoxyphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105035937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).