4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride

C10H20Cl2N2 — CID 123134602

IUPAC4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
SMILESC.CN(C)c1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C9H14N2.CH4.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;;/h3-6H,7,10H2,1-2H3;1H4;2*1H
InChIKeyKSPVDVRRORQSHB-UHFFFAOYSA-N
MW239.19 g/mol
LogP2.69
Rot. Bonds2

About 4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride

4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride (PubChem CID 123134602) has the molecular formula C10H20Cl2N2 and a molecular weight of 239.19 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
PubChem CID123134602
Molecular FormulaC10H20Cl2N2
Molecular Weight239.19 g/mol
Exact Mass238.10
IUPAC Name4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
SMILESC.CN(C)c1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C9H14N2.CH4.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;;/h3-6H,7,10H2,1-2H3;1H4;2*1H
InChIKeyKSPVDVRRORQSHB-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylaniline;phenylmethanamine
CID 159620878
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline
CID 66481798
4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline
CID 88745974
[4-(dimethylamino)phenyl]methyl-λ2-stannane
CID 174712145
4-(3-amino-2,2-dimethylpropyl)-N,N-dimethylaniline
CID 82111054
4-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43569588
1-[4-(aminomethyl)phenyl]-1-methylthiourea
CID 174434735
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
4-(2-amino-2-methylpropyl)-N,N-dimethylaniline
CID 3043620

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride (CID 123134602) is 4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride is C.CN(C)c1ccc(CN)cc1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride?
The InChIKey is KSPVDVRRORQSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.CH4.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;;/h3-6H,7,10H2,1-2H3;1H4;2*1H.
What are the key properties of 4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride?
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride has a molecular weight of 239.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride is sourced from PubChem (CID 123134602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).