N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine

C18H23NO — CID 62796087

IUPACN-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine
SMILESCCCOc1ccc(-c2ccccc2CNCC)cc1
InChIInChI=1S/C18H23NO/c1-3-13-20-17-11-9-15(10-12-17)18-8-6-5-7-16(18)14-19-4-2/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyTVVYDPPEUGFTBF-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.25
Rot. Bonds7

About N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine

N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine (PubChem CID 62796087) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine
PubChem CID62796087
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine
SMILESCCCOc1ccc(-c2ccccc2CNCC)cc1
InChIInChI=1S/C18H23NO/c1-3-13-20-17-11-9-15(10-12-17)18-8-6-5-7-16(18)14-19-4-2/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyTVVYDPPEUGFTBF-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425081
N-[[2-fluoro-5-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425036
2-(4-propoxyphenyl)benzoic acid
CID 62802761
N-[[2-(4-propylphenyl)phenyl]methyl]propan-1-amine
CID 63424634
N-[[2-(3-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 79691626
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 92927976
N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine
CID 62918232
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
N-[(2-chlorophenyl)methyl]-N'-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808219
(2-phenyl-4-propoxyphenyl)methanol
CID 134112799

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine (CID 62796087) is N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine is CCCOc1ccc(-c2ccccc2CNCC)cc1.
What is the InChIKey of N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine?
The InChIKey is TVVYDPPEUGFTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-13-20-17-11-9-15(10-12-17)18-8-6-5-7-16(18)14-19-4-2/h5-12,19H,3-4,13-14H2,1-2H3.
What are the key properties of N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine?
N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62796087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).