1,1-diphenylethane-1,2-diamine;hydrochloride

C14H17ClN2 — CID 139989781

IUPAC1,1-diphenylethane-1,2-diamine;hydrochloride
SMILESCl.NCC(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16N2.ClH/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10H,11,15-16H2;1H
InChIKeyNHOFWRWBLVOHLB-UHFFFAOYSA-N
MW248.76 g/mol
LogP2.27
Rot. Bonds3

About 1,1-diphenylethane-1,2-diamine;hydrochloride

1,1-diphenylethane-1,2-diamine;hydrochloride (PubChem CID 139989781) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 1,1-diphenylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1,1-diphenylethane-1,2-diamine;hydrochloride
PubChem CID139989781
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name1,1-diphenylethane-1,2-diamine;hydrochloride
SMILESCl.NCC(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16N2.ClH/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10H,11,15-16H2;1H
InChIKeyNHOFWRWBLVOHLB-UHFFFAOYSA-N
XLogP2.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174501053
2,2-diphenylpropane-1,3-diamine
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1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
3-methyl-2,2-diphenylbutane-1,3-diamine
CID 67265829
1,1,2-triphenylethanamine;hydrobromide
CID 175347021
phenylmethanamine;2-phenylpropan-2-amine;hydrochloride
CID 174901598
N',N'-dimethyl-2,2-diphenylpropane-1,3-diamine;hydrochloride
CID 54599759
1,1,3,3-tetraphenylpropan-1-amine
CID 174742383
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
1,1-diphenylpentan-1-amine
CID 10263654
2-amino-1-hydroperoxy-1-phenylethanol
CID 87472003
3,3,3-triphenylpropan-1-amine
CID 10125450

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylethane-1,2-diamine;hydrochloride?
The IUPAC name of 1,1-diphenylethane-1,2-diamine;hydrochloride (CID 139989781) is 1,1-diphenylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for 1,1-diphenylethane-1,2-diamine;hydrochloride?
The canonical SMILES for 1,1-diphenylethane-1,2-diamine;hydrochloride is Cl.NCC(N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylethane-1,2-diamine;hydrochloride?
The InChIKey is NHOFWRWBLVOHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.ClH/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10H,11,15-16H2;1H.
What are the key properties of 1,1-diphenylethane-1,2-diamine;hydrochloride?
1,1-diphenylethane-1,2-diamine;hydrochloride has a molecular weight of 248.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 139989781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).