2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine

C18H23NO — CID 43198146

IUPAC2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C18H23NO/c1-3-5-14-8-10-16(11-9-14)18(19)13-15-6-4-7-17(12-15)20-2/h4,6-12,18H,3,5,13,19H2,1-2H3
InChIKeyNHRKPGFDGCQQBF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.89
Rot. Bonds6

About 2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine

2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine (PubChem CID 43198146) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
PubChem CID43198146
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C18H23NO/c1-3-5-14-8-10-16(11-9-14)18(19)13-15-6-4-7-17(12-15)20-2/h4,6-12,18H,3,5,13,19H2,1-2H3
InChIKeyNHRKPGFDGCQQBF-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
2-(3-methoxyphenyl)-1-(4-propoxyphenyl)ethanamine
CID 62796466
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
1-methoxy-3-propylbenzene
CID 14270128
N-[(3-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 60871822
1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)ethanamine
CID 61078688
2-(3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155644
1-(4-butylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 43093642
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine (CID 43198146) is 2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(N)Cc2cccc(OC)c2)cc1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine?
The InChIKey is NHRKPGFDGCQQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-5-14-8-10-16(11-9-14)18(19)13-15-6-4-7-17(12-15)20-2/h4,6-12,18H,3,5,13,19H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine?
2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 43198146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).