4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine

C14H16N2 — CID 28902579

IUPAC4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
SMILESC[C@@H](Nc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C14H16N2/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-11,16H,15H2,1H3/t11-/m1/s1
InChIKeyHHXZEBYICWXELG-LLVKDONJSA-N
MW212.30 g/mol
LogP3.44
Rot. Bonds3

About 4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine

4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine (PubChem CID 28902579) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
PubChem CID28902579
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
SMILESC[C@@H](Nc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C14H16N2/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-11,16H,15H2,1H3/t11-/m1/s1
InChIKeyHHXZEBYICWXELG-LLVKDONJSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
[4-(1-phenylethylamino)phenyl]methanol
CID 112706513
4-N-phenylbenzene-1,4-diamine;1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 145341199
N-(1-phenylethyl)-4-propylaniline
CID 43078217
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
1-[3-[1-(4-aminophenyl)ethylamino]phenyl]ethanol;hydrochloride
CID 175239295
methyl 4-(1-phenylethylamino)benzoate
CID 43217232
4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534384
1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene
CID 112982256
1,1,1,3,3,3-hexafluoro-2-[4-(1-phenylethylamino)phenyl]propan-2-ol
CID 20792423
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
propan-2-yl 4-(1-phenylethylamino)benzoate
CID 43226962

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine (CID 28902579) is 4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine is C[C@@H](Nc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine?
The InChIKey is HHXZEBYICWXELG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(15)8-10-14/h2-11,16H,15H2,1H3/t11-/m1/s1.
What are the key properties of 4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine?
4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine has a molecular weight of 212.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine is sourced from PubChem (CID 28902579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).