[4-(4-propoxyphenoxy)phenyl]methanamine

C16H19NO2 — CID 28971093

IUPAC[4-(4-propoxyphenoxy)phenyl]methanamine
SMILESCCCOc1ccc(Oc2ccc(CN)cc2)cc1
InChIInChI=1S/C16H19NO2/c1-2-11-18-14-7-9-16(10-8-14)19-15-5-3-13(12-17)4-6-15/h3-10H,2,11-12,17H2,1H3
InChIKeyQXYRBUZMQYSYKA-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.73
Rot. Bonds6

About [4-(4-propoxyphenoxy)phenyl]methanamine

[4-(4-propoxyphenoxy)phenyl]methanamine (PubChem CID 28971093) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [4-(4-propoxyphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-propoxyphenoxy)phenyl]methanamine
PubChem CID28971093
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[4-(4-propoxyphenoxy)phenyl]methanamine
SMILESCCCOc1ccc(Oc2ccc(CN)cc2)cc1
InChIInChI=1S/C16H19NO2/c1-2-11-18-14-7-9-16(10-8-14)19-15-5-3-13(12-17)4-6-15/h3-10H,2,11-12,17H2,1H3
InChIKeyQXYRBUZMQYSYKA-UHFFFAOYSA-N
XLogP3.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-decoxyphenyl)methanamine
CID 55187501
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
1-(bromomethyl)-4-(4-propoxyphenoxy)benzene
CID 107087461
[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
CID 63087182
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine
CID 106485714
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-(3-propylsulfanylpropoxy)phenyl]methanamine
CID 43530070
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264

Frequently Asked Questions

What is the IUPAC name of [4-(4-propoxyphenoxy)phenyl]methanamine?
The IUPAC name of [4-(4-propoxyphenoxy)phenyl]methanamine (CID 28971093) is [4-(4-propoxyphenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(4-propoxyphenoxy)phenyl]methanamine?
The canonical SMILES for [4-(4-propoxyphenoxy)phenyl]methanamine is CCCOc1ccc(Oc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-(4-propoxyphenoxy)phenyl]methanamine?
The InChIKey is QXYRBUZMQYSYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-11-18-14-7-9-16(10-8-14)19-15-5-3-13(12-17)4-6-15/h3-10H,2,11-12,17H2,1H3.
What are the key properties of [4-(4-propoxyphenoxy)phenyl]methanamine?
[4-(4-propoxyphenoxy)phenyl]methanamine has a molecular weight of 257.33 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propoxyphenoxy)phenyl]methanamine is sourced from PubChem (CID 28971093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).