N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline

C18H23NO — CID 28545977

IUPACN-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline
SMILESCCOc1ccc(CNc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-20-18-10-8-15(9-11-18)13-19-17-7-5-6-16(12-17)14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyVZDGBADPFIHFTI-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.82
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline

N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline (PubChem CID 28545977) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline
PubChem CID28545977
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline
SMILESCCOc1ccc(CNc2cccc(C(C)C)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-20-18-10-8-15(9-11-18)13-19-17-7-5-6-16(12-17)14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyVZDGBADPFIHFTI-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-3-methylsulfanylaniline
CID 828986
methyl 3-[(4-ethoxyphenyl)methylamino]benzoate
CID 43217515
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
N-[(4-methoxy-3-methylphenyl)methyl]-3-propan-2-ylaniline
CID 43769003
3-heptoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 54802418
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
N'-hydroxy-4-[(3-propan-2-ylanilino)methyl]benzenecarboximidamide
CID 77029366
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
2-[3-[(4-propan-2-ylphenyl)methylamino]phenoxy]acetonitrile
CID 43721163
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline (CID 28545977) is N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline is CCOc1ccc(CNc2cccc(C(C)C)c2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline?
The InChIKey is VZDGBADPFIHFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-20-18-10-8-15(9-11-18)13-19-17-7-5-6-16(12-17)14(2)3/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline?
N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-3-propan-2-ylaniline is sourced from PubChem (CID 28545977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).