3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline

C17H25NO — CID 142213417

IUPAC3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline
SMILESC/C=C(/C)c1cc(NCC2CC2)cc(OC(C)C)c1
InChIInChI=1S/C17H25NO/c1-5-13(4)15-8-16(18-11-14-6-7-14)10-17(9-15)19-12(2)3/h5,8-10,12,14,18H,6-7,11H2,1-4H3/b13-5-
InChIKeyOWJXVSIWLTXBPR-ACAGNQJTSA-N
MW259.39 g/mol
LogP4.72
Rot. Bonds6

About 3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline

3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline (PubChem CID 142213417) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline
PubChem CID142213417
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline
SMILESC/C=C(/C)c1cc(NCC2CC2)cc(OC(C)C)c1
InChIInChI=1S/C17H25NO/c1-5-13(4)15-8-16(18-11-14-6-7-14)10-17(9-15)19-12(2)3/h5,8-10,12,14,18H,6-7,11H2,1-4H3/b13-5-
InChIKeyOWJXVSIWLTXBPR-ACAGNQJTSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
N-(cyclobutylmethyl)-4-propan-2-yloxyaniline
CID 65458952
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline
CID 115917457
N-[2-(3-amino-5-propan-2-yloxyanilino)ethyl]acetamide
CID 80730929
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691
3-(hydroxymethoxyamino)-5-propan-2-yloxybenzoic acid
CID 142986733
1-cyclopropyl-2-(3-nitro-5-propan-2-yloxyanilino)ethanol
CID 80724196
5-[(3-nitro-5-propan-2-yloxyanilino)methyl]pyrrolidin-2-one
CID 80732707
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
CID 59230003
(3-bromo-5-propan-2-yloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623046

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline (CID 142213417) is 3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline is C/C=C(/C)c1cc(NCC2CC2)cc(OC(C)C)c1.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline?
The InChIKey is OWJXVSIWLTXBPR-ACAGNQJTSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-13(4)15-8-16(18-11-14-6-7-14)10-17(9-15)19-12(2)3/h5,8-10,12,14,18H,6-7,11H2,1-4H3/b13-5-.
What are the key properties of 3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline?
3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline has a molecular weight of 259.39 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-en-2-yl]-N-(cyclopropylmethyl)-5-propan-2-yloxyaniline is sourced from PubChem (CID 142213417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).