2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine

C10H14ClN — CID 169436210

IUPAC2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine
SMILES[2H]C([2H])([2H])C(N)(Cc1ccc(Cl)cc1)C([2H])([2H])[2H]
InChIInChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3/i1D3,2D3
InChIKeyZCKAMNXUHHNZLN-WFGJKAKNSA-N
MW189.72 g/mol
LogP2.62
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine

2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine (PubChem CID 169436210) has the molecular formula C10H14ClN and a molecular weight of 189.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine
PubChem CID169436210
Molecular FormulaC10H14ClN
Molecular Weight189.72 g/mol
Exact Mass189.12
IUPAC Name2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine
SMILES[2H]C([2H])([2H])C(N)(Cc1ccc(Cl)cc1)C([2H])([2H])[2H]
InChIInChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3/i1D3,2D3
InChIKeyZCKAMNXUHHNZLN-WFGJKAKNSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile
CID 82076008
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine
CID 84752651
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
1-chloro-4-(2-methoxy-2-phenylpropyl)benzene
CID 132540002
(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
2-(2-chlorophenyl)-1-(4-chlorophenyl)propan-2-amine
CID 60797835
1-N-[(4-chlorophenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135848
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
CID 122239721
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 61414760
tert-butyl (2S)-2-amino-3-(4-chlorophenyl)-2-methylpropanoate
CID 15433370

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine (CID 169436210) is 2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine is [2H]C([2H])([2H])C(N)(Cc1ccc(Cl)cc1)C([2H])([2H])[2H].
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine?
The InChIKey is ZCKAMNXUHHNZLN-WFGJKAKNSA-N. The full InChI is InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3/i1D3,2D3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine?
2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine has a molecular weight of 189.72 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-amine is sourced from PubChem (CID 169436210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).