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

C15H20ClNO — CID 64519994

IUPAC(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(CC2CC2)C2CC2)c(Cl)c1
InChIInChI=1S/C15H20ClNO/c1-10(18)12-4-7-15(14(16)8-12)17(13-5-6-13)9-11-2-3-11/h4,7-8,10-11,13,18H,2-3,5-6,9H2,1H3/t10-/m1/s1
InChIKeyLCTWUYAWGCLSIW-SNVBAGLBSA-N
MW265.78 g/mol
LogP3.77
Rot. Bonds5

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

(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol (PubChem CID 64519994) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
PubChem CID64519994
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(CC2CC2)C2CC2)c(Cl)c1
InChIInChI=1S/C15H20ClNO/c1-10(18)12-4-7-15(14(16)8-12)17(13-5-6-13)9-11-2-3-11/h4,7-8,10-11,13,18H,2-3,5-6,9H2,1H3/t10-/m1/s1
InChIKeyLCTWUYAWGCLSIW-SNVBAGLBSA-N
XLogP3.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.77
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

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CID 64521778
(1R)-1-[3-chloro-4-[cyclopropyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78940497
(1R)-1-[3-chloro-4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 78954482
1-[4-[butyl(cyclopropyl)amino]-3-chlorophenyl]ethanol
CID 62909882
1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol
CID 64520190
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CID 64521360
4-[(1S)-1-aminoethyl]-2-chloro-N-cyclopropyl-N-propylaniline
CID 78935924
4-(1-aminoethyl)-2-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 62912720
2-(bromomethyl)-4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)aniline
CID 107084049
2-[4-(1-aminoethyl)-2-chloro-N-cyclohexylanilino]ethanol
CID 62911690
2-[4-[(1R)-1-aminoethyl]-2-chloro-N-cyclopentylanilino]ethanol
CID 63368770
2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863479

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol (CID 64519994) is (1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol is C[C@@H](O)c1ccc(N(CC2CC2)C2CC2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol?
The InChIKey is LCTWUYAWGCLSIW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10(18)12-4-7-15(14(16)8-12)17(13-5-6-13)9-11-2-3-11/h4,7-8,10-11,13,18H,2-3,5-6,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol?
(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol has a molecular weight of 265.78 g/mol, XLogP of 3.77, 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-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 64519994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).