[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine

C16H18ClNO2 — CID 63087182

IUPAC[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
SMILESCCCOc1ccc(Oc2ccc(CN)cc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-2-9-19-13-4-6-14(7-5-13)20-16-8-3-12(11-18)10-15(16)17/h3-8,10H,2,9,11,18H2,1H3
InChIKeyPKJVTXFXYWGQGV-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.38
Rot. Bonds6

About [3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine

[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine (PubChem CID 63087182) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is [3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
PubChem CID63087182
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine
SMILESCCCOc1ccc(Oc2ccc(CN)cc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-2-9-19-13-4-6-14(7-5-13)20-16-8-3-12(11-18)10-15(16)17/h3-8,10H,2,9,11,18H2,1H3
InChIKeyPKJVTXFXYWGQGV-UHFFFAOYSA-N
XLogP4.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 63086683
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
4-(2-chloro-4-ethylphenoxy)aniline
CID 22413866
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937
3-(2,4-dichlorophenoxy)-5-propoxyaniline
CID 80748821
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]ethyl]-2-chlorophenoxy]aniline
CID 57316904

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine (CID 63087182) is [3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine is CCCOc1ccc(Oc2ccc(CN)cc2Cl)cc1.
What is the InChIKey of [3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine?
The InChIKey is PKJVTXFXYWGQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-2-9-19-13-4-6-14(7-5-13)20-16-8-3-12(11-18)10-15(16)17/h3-8,10H,2,9,11,18H2,1H3.
What are the key properties of [3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine?
[3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine has a molecular weight of 291.78 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-propoxyphenoxy)phenyl]methanamine is sourced from PubChem (CID 63087182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).