N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline

C19H21N3O — CID 59728086

IUPACN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline
SMILESCCN(Cc1cnc[nH]1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O/c1-2-22(13-17-12-20-15-21-17)18-8-10-19(11-9-18)23-14-16-6-4-3-5-7-16/h3-12,15H,2,13-14H2,1H3,(H,20,21)
InChIKeyKYCUWIAKCAUPNF-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.02
Rot. Bonds7

About N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline

N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline (PubChem CID 59728086) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline
PubChem CID59728086
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline
SMILESCCN(Cc1cnc[nH]1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O/c1-2-22(13-17-12-20-15-21-17)18-8-10-19(11-9-18)23-14-16-6-4-3-5-7-16/h3-12,15H,2,13-14H2,1H3,(H,20,21)
InChIKeyKYCUWIAKCAUPNF-UHFFFAOYSA-N
XLogP4.02
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 24947146
N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-(2-pyridin-4-ylethyl)aniline
CID 59728020
N-methyl-N-(4-phenylmethoxyphenyl)-1H-imidazole-5-sulfonamide
CID 91661684
N-(1H-imidazol-5-ylmethyl)-4-phenoxy-N-propan-2-ylaniline
CID 59728067
N-(1H-imidazol-5-ylmethyl)-N-phenylaniline
CID 59728125
N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
2-[[3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]-[(4-phenylmethoxyphenyl)methyl]amino]acetic acid
CID 18368898
1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
benzyl N-[1-[[2-(2,2-diphenylethylamino)-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]carbamate
CID 67614823
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
1-phenylmethoxy-4-propoxybenzene
CID 10728874
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline?
The IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline (CID 59728086) is N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline.
What is the SMILES notation for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline?
The canonical SMILES for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline is CCN(Cc1cnc[nH]1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline?
The InChIKey is KYCUWIAKCAUPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-22(13-17-12-20-15-21-17)18-8-10-19(11-9-18)23-14-16-6-4-3-5-7-16/h3-12,15H,2,13-14H2,1H3,(H,20,21).
What are the key properties of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline?
N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline has a molecular weight of 307.40 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-phenylmethoxyaniline is sourced from PubChem (CID 59728086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).