N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine

C18H23NO — CID 43403695

IUPACN-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
SMILESCCOCCNC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-3-20-14-13-19-15(2)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyMHMUFRMBWCRPBH-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.04
Rot. Bonds7

About N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine

N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine (PubChem CID 43403695) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
PubChem CID43403695
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
SMILESCCOCCNC(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-3-20-14-13-19-15(2)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyMHMUFRMBWCRPBH-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[1-(4-phenylphenyl)ethylamino]ethoxy]ethanol
CID 43207514
(1R)-1-(4-chlorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 81353277
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
4-[1-(2-ethoxyethylamino)ethyl]benzonitrile
CID 43590856
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine
CID 81404326
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
N-[1-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-phenylpropan-1-amine
CID 54804632
N-(2-ethoxyethyl)-1-[2-(4-ethoxyphenyl)phenyl]ethanamine
CID 22052251
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine?
The IUPAC name of N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine (CID 43403695) is N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine?
The canonical SMILES for N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine is CCOCCNC(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine?
The InChIKey is MHMUFRMBWCRPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-20-14-13-19-15(2)16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine?
N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine is sourced from PubChem (CID 43403695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).