N-[phenyl-(2-propoxyphenyl)methyl]ethanamine

C18H23NO — CID 104659888

IUPACN-[phenyl-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1ccccc1
InChIInChI=1S/C18H23NO/c1-3-14-20-17-13-9-8-12-16(17)18(19-4-2)15-10-6-5-7-11-15/h5-13,18-19H,3-4,14H2,1-2H3
InChIKeyYMXDSFPXUHCTEB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds7

About N-[phenyl-(2-propoxyphenyl)methyl]ethanamine

N-[phenyl-(2-propoxyphenyl)methyl]ethanamine (PubChem CID 104659888) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[phenyl-(2-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[phenyl-(2-propoxyphenyl)methyl]ethanamine
PubChem CID104659888
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[phenyl-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1ccccc1
InChIInChI=1S/C18H23NO/c1-3-14-20-17-13-9-8-12-16(17)18(19-4-2)15-10-6-5-7-11-15/h5-13,18-19H,3-4,14H2,1-2H3
InChIKeyYMXDSFPXUHCTEB-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104659903
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035892
N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105180804
N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035800
N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104660529
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N,2-diethyl-1-(2-propoxyphenyl)hexan-1-amine
CID 105035820

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-(2-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[phenyl-(2-propoxyphenyl)methyl]ethanamine (CID 104659888) is N-[phenyl-(2-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[phenyl-(2-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[phenyl-(2-propoxyphenyl)methyl]ethanamine is CCCOc1ccccc1C(NCC)c1ccccc1.
What is the InChIKey of N-[phenyl-(2-propoxyphenyl)methyl]ethanamine?
The InChIKey is YMXDSFPXUHCTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-14-20-17-13-9-8-12-16(17)18(19-4-2)15-10-6-5-7-11-15/h5-13,18-19H,3-4,14H2,1-2H3.
What are the key properties of N-[phenyl-(2-propoxyphenyl)methyl]ethanamine?
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl-(2-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104659888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).