2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline

C18H22N2O — CID 82257717

IUPAC2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline
SMILESC=CCNCCc1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C18H22N2O/c1-2-11-20-12-10-15-8-9-18(17(19)13-15)21-14-16-6-4-3-5-7-16/h2-9,13,20H,1,10-12,14,19H2
InChIKeyNFFOMRGUVTYCDQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.17
Rot. Bonds8

About 2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline

2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline (PubChem CID 82257717) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline.

Molecular Properties

Compound Name2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline
PubChem CID82257717
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline
SMILESC=CCNCCc1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C18H22N2O/c1-2-11-20-12-10-15-8-9-18(17(19)13-15)21-14-16-6-4-3-5-7-16/h2-9,13,20H,1,10-12,14,19H2
InChIKeyNFFOMRGUVTYCDQ-UHFFFAOYSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline
CID 94759766
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
N-(2-phenylethyl)prop-2-en-1-amine;hydrate
CID 174367683
2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
CID 82153119
5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine
CID 70392380
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-N'-(2-phenoxyethyl)hexane-1,6-diamine;dihydrochloride
CID 19838296
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
N-[2-[3-methoxy-4,5-bis(phenylmethoxy)phenyl]ethyl]-2-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 45047916
5-[2-(1,4-diazepan-1-yl)ethyl]-2-phenylmethoxyaniline
CID 82256290
2-[7-[3,4-bis(phenylmethoxy)phenyl]heptylamino]ethanol
CID 71609182
5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline
CID 70412352
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline?
The IUPAC name of 2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline (CID 82257717) is 2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline.
What is the SMILES notation for 2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline?
The canonical SMILES for 2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline is C=CCNCCc1ccc(OCc2ccccc2)c(N)c1.
What is the InChIKey of 2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline?
The InChIKey is NFFOMRGUVTYCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-11-20-12-10-15-8-9-18(17(19)13-15)21-14-16-6-4-3-5-7-16/h2-9,13,20H,1,10-12,14,19H2.
What are the key properties of 2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline?
2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline has a molecular weight of 282.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline is sourced from PubChem (CID 82257717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).