N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride

C15H24ClNO2 — CID 173067916

IUPACN,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCC.CN(C)Cc1ccccc1.Cl
InChIInChI=1S/C9H13N.C6H10O2.ClH/c1-10(2)8-9-6-4-3-5-7-9;1-4-8-6(7)5(2)3;/h3-7H,8H2,1-2H3;2,4H2,1,3H3;1H
InChIKeyBXUULZJBSDRIOL-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.30
Rot. Bonds4

About N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride

N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride (PubChem CID 173067916) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride
PubChem CID173067916
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC NameN,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCC.CN(C)Cc1ccccc1.Cl
InChIInChI=1S/C9H13N.C6H10O2.ClH/c1-10(2)8-9-6-4-3-5-7-9;1-4-8-6(7)5(2)3;/h3-7H,8H2,1-2H3;2,4H2,1,3H3;1H
InChIKeyBXUULZJBSDRIOL-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride
CID 174468605
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
chlorobenzene;ethyl 2-methylprop-2-enoate;hydrate
CID 158184145
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
ethyl 2-[[benzyl(hydroxy)amino]methyl]prop-2-enoate
CID 135045197
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
ethyl 2-methylprop-2-enoate
CID 130475774
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride (CID 173067916) is N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride is C=C(C)C(=O)OCC.CN(C)Cc1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride?
The InChIKey is BXUULZJBSDRIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C6H10O2.ClH/c1-10(2)8-9-6-4-3-5-7-9;1-4-8-6(7)5(2)3;/h3-7H,8H2,1-2H3;2,4H2,1,3H3;1H.
What are the key properties of N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride?
N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;ethyl 2-methylprop-2-enoate;hydrochloride is sourced from PubChem (CID 173067916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).