2-(3-phenyl-4-propoxyphenyl)ethanamine

C17H21NO — CID 170888303

IUPAC2-(3-phenyl-4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(CCN)cc1-c1ccccc1
InChIInChI=1S/C17H21NO/c1-2-12-19-17-9-8-14(10-11-18)13-16(17)15-6-4-3-5-7-15/h3-9,13H,2,10-12,18H2,1H3
InChIKeyKSXYNIUKKUMJHU-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.64
Rot. Bonds6

About 2-(3-phenyl-4-propoxyphenyl)ethanamine

2-(3-phenyl-4-propoxyphenyl)ethanamine (PubChem CID 170888303) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(3-phenyl-4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-phenyl-4-propoxyphenyl)ethanamine
PubChem CID170888303
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(3-phenyl-4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(CCN)cc1-c1ccccc1
InChIInChI=1S/C17H21NO/c1-2-12-19-17-9-8-14(10-11-18)13-16(17)15-6-4-3-5-7-15/h3-9,13H,2,10-12,18H2,1H3
InChIKeyKSXYNIUKKUMJHU-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenyl-4-propoxyphenyl)butan-2-amine
CID 170890577
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937
2-methyl-4-(4-pentoxy-3-phenylphenyl)butanoic acid
CID 174337519
O-[2-(4-methoxy-3-phenylphenyl)ethyl]hydroxylamine
CID 117360142
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959
2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
CID 68544414
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-benzyl-1-propoxy-4-propylbenzene
CID 170893890
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3-phenyl-4-propoxyphenyl)ethanamine (CID 170888303) is 2-(3-phenyl-4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-phenyl-4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-phenyl-4-propoxyphenyl)ethanamine is CCCOc1ccc(CCN)cc1-c1ccccc1.
What is the InChIKey of 2-(3-phenyl-4-propoxyphenyl)ethanamine?
The InChIKey is KSXYNIUKKUMJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-12-19-17-9-8-14(10-11-18)13-16(17)15-6-4-3-5-7-15/h3-9,13H,2,10-12,18H2,1H3.
What are the key properties of 2-(3-phenyl-4-propoxyphenyl)ethanamine?
2-(3-phenyl-4-propoxyphenyl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-4-propoxyphenyl)ethanamine is sourced from PubChem (CID 170888303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).