azane;1-chloro-4-(2-phenylpropyl)benzene

C15H18ClN — CID 67712446

IUPACazane;1-chloro-4-(2-phenylpropyl)benzene
SMILESCC(Cc1ccc(Cl)cc1)c1ccccc1.N
InChIInChI=1S/C15H15Cl.H3N/c1-12(14-5-3-2-4-6-14)11-13-7-9-15(16)10-8-13;/h2-10,12H,11H2,1H3;1H3
InChIKeyPCYZSPCTDMAZIK-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.85
Rot. Bonds3

About azane;1-chloro-4-(2-phenylpropyl)benzene

azane;1-chloro-4-(2-phenylpropyl)benzene (PubChem CID 67712446) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is azane;1-chloro-4-(2-phenylpropyl)benzene.

Molecular Properties

Compound Nameazane;1-chloro-4-(2-phenylpropyl)benzene
PubChem CID67712446
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Nameazane;1-chloro-4-(2-phenylpropyl)benzene
SMILESCC(Cc1ccc(Cl)cc1)c1ccccc1.N
InChIInChI=1S/C15H15Cl.H3N/c1-12(14-5-3-2-4-6-14)11-13-7-9-15(16)10-8-13;/h2-10,12H,11H2,1H3;1H3
InChIKeyPCYZSPCTDMAZIK-UHFFFAOYSA-N
XLogP4.85
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
CID 58698493
1,4-bis(2-phenylpropyl)benzene
CID 19376086
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
(2S,3S)-4-(4-chlorophenyl)-3-phenylbutan-2-amine;hydrochloride
CID 23404723
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342
1-[1-(4-chlorophenyl)propan-2-yl]-3,5-difluorobenzene
CID 142807623
1-chloro-2-fluoro-4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]benzene
CID 21052595

Frequently Asked Questions

What is the IUPAC name of azane;1-chloro-4-(2-phenylpropyl)benzene?
The IUPAC name of azane;1-chloro-4-(2-phenylpropyl)benzene (CID 67712446) is azane;1-chloro-4-(2-phenylpropyl)benzene.
What is the SMILES notation for azane;1-chloro-4-(2-phenylpropyl)benzene?
The canonical SMILES for azane;1-chloro-4-(2-phenylpropyl)benzene is CC(Cc1ccc(Cl)cc1)c1ccccc1.N.
What is the InChIKey of azane;1-chloro-4-(2-phenylpropyl)benzene?
The InChIKey is PCYZSPCTDMAZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl.H3N/c1-12(14-5-3-2-4-6-14)11-13-7-9-15(16)10-8-13;/h2-10,12H,11H2,1H3;1H3.
What are the key properties of azane;1-chloro-4-(2-phenylpropyl)benzene?
azane;1-chloro-4-(2-phenylpropyl)benzene has a molecular weight of 247.77 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-chloro-4-(2-phenylpropyl)benzene is sourced from PubChem (CID 67712446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).