(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine

C18H23NO — CID 115481951

IUPAC(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(OC)cc2)cc1CC
InChIInChI=1S/C18H23NO/c1-4-13-6-7-16(12-14(13)5-2)18(19)15-8-10-17(20-3)11-9-15/h6-12,18H,4-5,19H2,1-3H3
InChIKeyYWZORAIEFKHQQD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.87
Rot. Bonds5

About (3,4-diethylphenyl)-(4-methoxyphenyl)methanamine

(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine (PubChem CID 115481951) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (3,4-diethylphenyl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
PubChem CID115481951
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(OC)cc2)cc1CC
InChIInChI=1S/C18H23NO/c1-4-13-6-7-16(12-14(13)5-2)18(19)15-8-10-17(20-3)11-9-15/h6-12,18H,4-5,19H2,1-3H3
InChIKeyYWZORAIEFKHQQD-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[bromo-(4-methoxyphenyl)methyl]-1,2-diethylbenzene
CID 115483026
(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine
CID 115482034
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine
CID 115481933
(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
CID 89463039
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
(S)-(6-methoxynaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239323
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
(2-ethylfuran-3-yl)-(4-methoxyphenyl)methanamine
CID 114102970

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (3,4-diethylphenyl)-(4-methoxyphenyl)methanamine (CID 115481951) is (3,4-diethylphenyl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (3,4-diethylphenyl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (3,4-diethylphenyl)-(4-methoxyphenyl)methanamine is CCc1ccc(C(N)c2ccc(OC)cc2)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)-(4-methoxyphenyl)methanamine?
The InChIKey is YWZORAIEFKHQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-13-6-7-16(12-14(13)5-2)18(19)15-8-10-17(20-3)11-9-15/h6-12,18H,4-5,19H2,1-3H3.
What are the key properties of (3,4-diethylphenyl)-(4-methoxyphenyl)methanamine?
(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 115481951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).