[4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride

C10H18Cl2N2 — CID 18327610

IUPAC[4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride
SMILESCN(C)Cc1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C10H16N2.2ClH/c1-12(2)8-10-5-3-9(7-11)4-6-10;;/h3-6H,7-8,11H2,1-2H3;2*1H
InChIKeyKYBFMFWHHZEYEP-UHFFFAOYSA-N
MW237.17 g/mol
LogP2.05
Rot. Bonds3

About [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride

[4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride (PubChem CID 18327610) has the molecular formula C10H18Cl2N2 and a molecular weight of 237.17 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride
PubChem CID18327610
Molecular FormulaC10H18Cl2N2
Molecular Weight237.17 g/mol
Exact Mass236.08
IUPAC Name[4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride
SMILESCN(C)Cc1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C10H16N2.2ClH/c1-12(2)8-10-5-3-9(7-11)4-6-10;;/h3-6H,7-8,11H2,1-2H3;2*1H
InChIKeyKYBFMFWHHZEYEP-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride (CID 18327610) is [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride is CN(C)Cc1ccc(CN)cc1.Cl.Cl.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride?
The InChIKey is KYBFMFWHHZEYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.2ClH/c1-12(2)8-10-5-3-9(7-11)4-6-10;;/h3-6H,7-8,11H2,1-2H3;2*1H.
What are the key properties of [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride?
[4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride has a molecular weight of 237.17 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 18327610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).