(1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol

C14H20ClNO2 — CID 82742935

IUPAC(1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
SMILESCC1OCCC1N(C)c1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9(17)11-4-5-14(12(15)8-11)16(3)13-6-7-18-10(13)2/h4-5,8-10,13,17H,6-7H2,1-3H3/t9-,10?,13?/m0/s1
InChIKeyIDLAYWRUORIXDR-JBLZRFIASA-N
MW269.77 g/mol
LogP3.01
Rot. Bonds3

About (1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol

(1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol (PubChem CID 82742935) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
PubChem CID82742935
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
SMILESCC1OCCC1N(C)c1ccc([C@H](C)O)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9(17)11-4-5-14(12(15)8-11)16(3)13-6-7-18-10(13)2/h4-5,8-10,13,17H,6-7H2,1-3H3/t9-,10?,13?/m0/s1
InChIKeyIDLAYWRUORIXDR-JBLZRFIASA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739891
1-[5-bromo-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82971312
(1R)-1-[2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742779
1-[6-[methyl-(2-methyloxolan-3-yl)amino]-3-pyridinyl]ethanol
CID 82742695
[4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]methanol
CID 114845807
1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82753878
N-[4-(1-aminoethyl)-2-chlorophenyl]-N-methyloxan-4-amine
CID 55130920
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739889
N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739979
5-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]benzenecarboximidamide
CID 82739406
4-chloro-5-fluoro-1-N-methyl-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82741235
(1S)-1-[3-chloro-4-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63370881

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol (CID 82742935) is (1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol is CC1OCCC1N(C)c1ccc([C@H](C)O)cc1Cl.
What is the InChIKey of (1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol?
The InChIKey is IDLAYWRUORIXDR-JBLZRFIASA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(17)11-4-5-14(12(15)8-11)16(3)13-6-7-18-10(13)2/h4-5,8-10,13,17H,6-7H2,1-3H3/t9-,10?,13?/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol?
(1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol has a molecular weight of 269.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol is sourced from PubChem (CID 82742935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).