(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol

C14H20ClNO — CID 78954482

IUPAC(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
SMILESCCN(CC1CC1)c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-3-16(9-11-4-5-11)14-7-6-12(10(2)17)8-13(14)15/h6-8,10-11,17H,3-5,9H2,1-2H3/t10-/m1/s1
InChIKeyGIHWGQGTAUMIPK-SNVBAGLBSA-N
MW253.77 g/mol
LogP3.63
Rot. Bonds5

About (1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol

(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol (PubChem CID 78954482) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
PubChem CID78954482
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
SMILESCCN(CC1CC1)c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-3-16(9-11-4-5-11)14-7-6-12(10(2)17)8-13(14)15/h6-8,10-11,17H,3-5,9H2,1-2H3/t10-/m1/s1
InChIKeyGIHWGQGTAUMIPK-SNVBAGLBSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
CID 64519994
(1S)-1-[3-chloro-4-[ethyl(2-methylpropyl)amino]phenyl]ethanol
CID 78939599
2-chloro-N-(cyclobutylmethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 107399202
(1S)-1-[3-chloro-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78939886
(1R)-1-[4-[cyclopropylmethyl(ethyl)amino]-3-nitrophenyl]ethanol
CID 63955404
(1R)-1-[3-chloro-4-[ethyl(2-ethylbutyl)amino]phenyl]ethanol
CID 63540939
1-[4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63956428
4-(bromomethyl)-2-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083795
2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940268
(1S)-1-[4-[cyclobutylmethyl(ethyl)amino]-3-nitrophenyl]ethanol
CID 107399696
2-[2-chloro-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-propan-2-ylacetamide
CID 63371225
1-[4-[cyclopropylmethyl(propyl)amino]-3-fluorophenyl]ethanol
CID 61445224

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol (CID 78954482) is (1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol is CCN(CC1CC1)c1ccc([C@@H](C)O)cc1Cl.
What is the InChIKey of (1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol?
The InChIKey is GIHWGQGTAUMIPK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-16(9-11-4-5-11)14-7-6-12(10(2)17)8-13(14)15/h6-8,10-11,17H,3-5,9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol?
(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol has a molecular weight of 253.77 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol is sourced from PubChem (CID 78954482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).