(4-methoxyphenyl)-(4-propoxyphenyl)methanamine

C17H21NO2 — CID 62796455

IUPAC(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-3-12-20-16-10-6-14(7-11-16)17(18)13-4-8-15(19-2)9-5-13/h4-11,17H,3,12,18H2,1-2H3
InChIKeySVDABEYFMWCHGA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.53
Rot. Bonds6

About (4-methoxyphenyl)-(4-propoxyphenyl)methanamine

(4-methoxyphenyl)-(4-propoxyphenyl)methanamine (PubChem CID 62796455) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
PubChem CID62796455
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-3-12-20-16-10-6-14(7-11-16)17(18)13-4-8-15(19-2)9-5-13/h4-11,17H,3,12,18H2,1-2H3
InChIKeySVDABEYFMWCHGA-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
(5-iodothiophen-3-yl)-(4-propoxyphenyl)methanamine
CID 115853519
(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-propoxyphenyl)methanamine?
The IUPAC name of (4-methoxyphenyl)-(4-propoxyphenyl)methanamine (CID 62796455) is (4-methoxyphenyl)-(4-propoxyphenyl)methanamine.
What is the SMILES notation for (4-methoxyphenyl)-(4-propoxyphenyl)methanamine?
The canonical SMILES for (4-methoxyphenyl)-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-propoxyphenyl)methanamine?
The InChIKey is SVDABEYFMWCHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-12-20-16-10-6-14(7-11-16)17(18)13-4-8-15(19-2)9-5-13/h4-11,17H,3,12,18H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(4-propoxyphenyl)methanamine?
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 62796455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).