N-[phenyl-(3-propoxyphenyl)methyl]ethanamine

C18H23NO — CID 62920706

IUPACN-[phenyl-(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(C(NCC)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-3-13-20-17-12-8-11-16(14-17)18(19-4-2)15-9-6-5-7-10-15/h5-12,14,18-19H,3-4,13H2,1-2H3
InChIKeyXITBGAJBJBUWPE-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds7

About N-[phenyl-(3-propoxyphenyl)methyl]ethanamine

N-[phenyl-(3-propoxyphenyl)methyl]ethanamine (PubChem CID 62920706) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[phenyl-(3-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[phenyl-(3-propoxyphenyl)methyl]ethanamine
PubChem CID62920706
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[phenyl-(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(C(NCC)c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-3-13-20-17-12-8-11-16(14-17)18(19-4-2)15-9-6-5-7-10-15/h5-12,14,18-19H,3-4,13H2,1-2H3
InChIKeyXITBGAJBJBUWPE-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)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073
N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 62920874
N-[(5-chloro-4-methylthiophen-2-yl)-(3-propoxyphenyl)methyl]ethanamine
CID 102763929
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
[(2-chlorophenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105287434
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
N-benzhydrylethanamine;ethane
CID 142974710
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778

Frequently Asked Questions

What is the IUPAC name of N-[phenyl-(3-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[phenyl-(3-propoxyphenyl)methyl]ethanamine (CID 62920706) is N-[phenyl-(3-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[phenyl-(3-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[phenyl-(3-propoxyphenyl)methyl]ethanamine is CCCOc1cccc(C(NCC)c2ccccc2)c1.
What is the InChIKey of N-[phenyl-(3-propoxyphenyl)methyl]ethanamine?
The InChIKey is XITBGAJBJBUWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-13-20-17-12-8-11-16(14-17)18(19-4-2)15-9-6-5-7-10-15/h5-12,14,18-19H,3-4,13H2,1-2H3.
What are the key properties of N-[phenyl-(3-propoxyphenyl)methyl]ethanamine?
N-[phenyl-(3-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-(3-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 62920706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).