N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride

C15H24ClNO2 — CID 174468605

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

About N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride

N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride (PubChem CID 174468605) has the molecular formula C15H24ClNO2 and a molecular weight of 285.82 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride
PubChem CID174468605
Molecular FormulaC15H24ClNO2
Molecular Weight285.82 g/mol
Exact Mass285.15
IUPAC NameN,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride
SMILESC=C(CC)C(=O)OC.CN(C)Cc1ccccc1.Cl
InChIInChI=1S/C9H13N.C6H10O2.ClH/c1-10(2)8-9-6-4-3-5-7-9;1-4-5(2)6(7)8-3;/h3-7H,8H2,1-2H3;2,4H2,1,3H3;1H
InChIKeyFTCKQAQNVTZXLL-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;ethyl 2-methylprop-2-enoate;hydrochloride
CID 173067916
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
bis([4-[(dimethylamino)methyl]phenyl]-phenylmethanone);2-methylidenebutanoic acid;hydrochloride
CID 173014587
methyl 2-benzylprop-2-enoate
CID 575761
N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid
CID 173041614
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
methyl 2-[acetyl(benzyl)amino]prop-2-enoate
CID 11776154
N,N-dimethyl-1-phenylmethanamine;N-ethyl-N-methylethanamine
CID 154948707
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
hydron;methyl 2-methylidenebutanoate
CID 174760127
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride (CID 174468605) is N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride is C=C(CC)C(=O)OC.CN(C)Cc1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride?
The InChIKey is FTCKQAQNVTZXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C6H10O2.ClH/c1-10(2)8-9-6-4-3-5-7-9;1-4-5(2)6(7)8-3;/h3-7H,8H2,1-2H3;2,4H2,1,3H3;1H.
What are the key properties of N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;hydrochloride?
N,N-dimethyl-1-phenylmethanamine;methyl 2-methylidenebutanoate;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;methyl 2-methylidenebutanoate;hydrochloride is sourced from PubChem (CID 174468605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).