4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol

C17H20ClNO — CID 115494470

IUPAC4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-12(11-14-3-9-17(20)10-4-14)19-13(2)15-5-7-16(18)8-6-15/h3-10,12-13,19-20H,11H2,1-2H3/t12?,13-/m1/s1
InChIKeyQSRLRQXTDZVARL-ZGTCLIOFSA-N
MW289.81 g/mol
LogP4.33
Rot. Bonds5

About 4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol

4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol (PubChem CID 115494470) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
PubChem CID115494470
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-12(11-14-3-9-17(20)10-4-14)19-13(2)15-5-7-16(18)8-6-15/h3-10,12-13,19-20H,11H2,1-2H3/t12?,13-/m1/s1
InChIKeyQSRLRQXTDZVARL-ZGTCLIOFSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841
4-[1-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]benzonitrile
CID 43677704
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol
CID 154866336
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
CID 81357194
2-[1-(4-chlorophenyl)propan-2-ylamino]propanoic acid
CID 66173510
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 63008182
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
CID 115494501
1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol?
The IUPAC name of 4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol (CID 115494470) is 4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol.
What is the SMILES notation for 4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol?
The canonical SMILES for 4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol is CC(Cc1ccc(O)cc1)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol?
The InChIKey is QSRLRQXTDZVARL-ZGTCLIOFSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12(11-14-3-9-17(20)10-4-14)19-13(2)15-5-7-16(18)8-6-15/h3-10,12-13,19-20H,11H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of 4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol?
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol has a molecular weight of 289.81 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol is sourced from PubChem (CID 115494470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).