[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine

C12H16ClNO — CID 106437083

IUPAC[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine
SMILESC/C(=C/Cl)COc1c(C)cccc1CN
InChIInChI=1S/C12H16ClNO/c1-9(6-13)8-15-12-10(2)4-3-5-11(12)7-14/h3-6H,7-8,14H2,1-2H3/b9-6-
InChIKeyBVTFGACJJYFFBK-TWGQIWQCSA-N
MW225.72 g/mol
LogP2.98
Rot. Bonds4

About [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine

[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine (PubChem CID 106437083) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine
PubChem CID106437083
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine
SMILESC/C(=C/Cl)COc1c(C)cccc1CN
InChIInChI=1S/C12H16ClNO/c1-9(6-13)8-15-12-10(2)4-3-5-11(12)7-14/h3-6H,7-8,14H2,1-2H3/b9-6-
InChIKeyBVTFGACJJYFFBK-TWGQIWQCSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine
CID 106437085
[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112607493
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
2-[2-(aminomethyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 112607289
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610162
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
(3-methyl-2-phosphanyloxyphenyl)methanamine
CID 143384001
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methanamine
CID 106437069
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
CID 115951807

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine?
The IUPAC name of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine (CID 106437083) is [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine.
What is the SMILES notation for [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine?
The canonical SMILES for [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine is C/C(=C/Cl)COc1c(C)cccc1CN.
What is the InChIKey of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine?
The InChIKey is BVTFGACJJYFFBK-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9(6-13)8-15-12-10(2)4-3-5-11(12)7-14/h3-6H,7-8,14H2,1-2H3/b9-6-.
What are the key properties of [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine?
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine is sourced from PubChem (CID 106437083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).