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

C17H20ClNO — CID 81377530

IUPAC2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
SMILESCCC(N[C@H](C)c1ccccc1Cl)c1ccccc1O
InChIInChI=1S/C17H20ClNO/c1-3-16(14-9-5-7-11-17(14)20)19-12(2)13-8-4-6-10-15(13)18/h4-12,16,19-20H,3H2,1-2H3/t12-,16?/m1/s1
InChIKeyWRLNHUJVUKFXHC-ZGTOLYCTSA-N
MW289.81 g/mol
LogP4.85
Rot. Bonds5

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

2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol (PubChem CID 81377530) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol.

Molecular Properties

Compound Name2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
PubChem CID81377530
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
SMILESCCC(N[C@H](C)c1ccccc1Cl)c1ccccc1O
InChIInChI=1S/C17H20ClNO/c1-3-16(14-9-5-7-11-17(14)20)19-12(2)13-8-4-6-10-15(13)18/h4-12,16,19-20H,3H2,1-2H3/t12-,16?/m1/s1
InChIKeyWRLNHUJVUKFXHC-ZGTOLYCTSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 81374924
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol
CID 122234675
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
2-[1-(2-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77031297
2-[1-(pent-1-yn-3-ylamino)propyl]phenol
CID 106225526
2-[1-(2-chlorophenyl)ethylamino]butanamide
CID 62899850
(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755726

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol?
The IUPAC name of 2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol (CID 81377530) is 2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol.
What is the SMILES notation for 2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol?
The canonical SMILES for 2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol is CCC(N[C@H](C)c1ccccc1Cl)c1ccccc1O.
What is the InChIKey of 2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol?
The InChIKey is WRLNHUJVUKFXHC-ZGTOLYCTSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-16(14-9-5-7-11-17(14)20)19-12(2)13-8-4-6-10-15(13)18/h4-12,16,19-20H,3H2,1-2H3/t12-,16?/m1/s1.
What are the key properties of 2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol?
2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol has a molecular weight of 289.81 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol is sourced from PubChem (CID 81377530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).