(3-ethoxyphenyl)-(3-propylphenyl)methanamine

C18H23NO — CID 116543834

IUPAC(3-ethoxyphenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cccc(OCC)c2)c1
InChIInChI=1S/C18H23NO/c1-3-7-14-8-5-9-15(12-14)18(19)16-10-6-11-17(13-16)20-4-2/h5-6,8-13,18H,3-4,7,19H2,1-2H3
InChIKeyAHPQNBOGXHLYRZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.09
Rot. Bonds6

About (3-ethoxyphenyl)-(3-propylphenyl)methanamine

(3-ethoxyphenyl)-(3-propylphenyl)methanamine (PubChem CID 116543834) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(3-propylphenyl)methanamine
PubChem CID116543834
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(3-ethoxyphenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cccc(OCC)c2)c1
InChIInChI=1S/C18H23NO/c1-3-7-14-8-5-9-15(12-14)18(19)16-10-6-11-17(13-16)20-4-2/h5-6,8-13,18H,3-4,7,19H2,1-2H3
InChIKeyAHPQNBOGXHLYRZ-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

(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
[(3-ethoxyphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105192042
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
(2-methoxyphenyl)-(3-propylphenyl)methanamine
CID 116543821
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 105022224
(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156095
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
1-(3-propylphenyl)ethanamine
CID 116543909

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(3-propylphenyl)methanamine?
The IUPAC name of (3-ethoxyphenyl)-(3-propylphenyl)methanamine (CID 116543834) is (3-ethoxyphenyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (3-ethoxyphenyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (3-ethoxyphenyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2cccc(OCC)c2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(3-propylphenyl)methanamine?
The InChIKey is AHPQNBOGXHLYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-7-14-8-5-9-15(12-14)18(19)16-10-6-11-17(13-16)20-4-2/h5-6,8-13,18H,3-4,7,19H2,1-2H3.
What are the key properties of (3-ethoxyphenyl)-(3-propylphenyl)methanamine?
(3-ethoxyphenyl)-(3-propylphenyl)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 (3-ethoxyphenyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 116543834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).