N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine

C15H21Cl2NO — CID 112610162

IUPACN-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cccc(CNC(C)(C)C)c1OC/C(Cl)=C/Cl
InChIInChI=1S/C15H21Cl2NO/c1-11-6-5-7-12(9-18-15(2,3)4)14(11)19-10-13(17)8-16/h5-8,18H,9-10H2,1-4H3/b13-8-
InChIKeyMQKPNDGGCXRWNG-JYRVWZFOSA-N
MW302.25 g/mol
LogP4.58
Rot. Bonds5

About N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine

N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 112610162) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID112610162
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC NameN-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cccc(CNC(C)(C)C)c1OC/C(Cl)=C/Cl
InChIInChI=1S/C15H21Cl2NO/c1-11-6-5-7-12(9-18-15(2,3)4)14(11)19-10-13(17)8-16/h5-8,18H,9-10H2,1-4H3/b13-8-
InChIKeyMQKPNDGGCXRWNG-JYRVWZFOSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 112609975
methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine
CID 106437083
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 112610168
N-[(2,3-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 60760457
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358
5-[2-[(tert-butylamino)methyl]-6-methylphenoxy]pentanenitrile
CID 115954209

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine (CID 112610162) is N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine is Cc1cccc(CNC(C)(C)C)c1OC/C(Cl)=C/Cl.
What is the InChIKey of N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is MQKPNDGGCXRWNG-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-11-6-5-7-12(9-18-15(2,3)4)14(11)19-10-13(17)8-16/h5-8,18H,9-10H2,1-4H3/b13-8-.
What are the key properties of N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 302.25 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(Z)-2,3-dichloroprop-2-enoxy]-3-methylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 112610162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).