1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol

C16H24ClNO — CID 78992152

IUPAC1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol
SMILESCC(C)CCN(c1ccc(C(C)O)c(Cl)c1)C1CC1
InChIInChI=1S/C16H24ClNO/c1-11(2)8-9-18(13-4-5-13)14-6-7-15(12(3)19)16(17)10-14/h6-7,10-13,19H,4-5,8-9H2,1-3H3
InChIKeyFWZTVBKLIBYADL-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.41
Rot. Bonds6

About 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol

1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol (PubChem CID 78992152) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol
PubChem CID78992152
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol
SMILESCC(C)CCN(c1ccc(C(C)O)c(Cl)c1)C1CC1
InChIInChI=1S/C16H24ClNO/c1-11(2)8-9-18(13-4-5-13)14-6-7-15(12(3)19)16(17)10-14/h6-7,10-13,19H,4-5,8-9H2,1-3H3
InChIKeyFWZTVBKLIBYADL-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-chloro-N-cyclobutyl-4-(1-hydroxyethyl)anilino]propan-1-ol
CID 102864101
1-[2-bromo-4-[butyl(cyclopropyl)amino]phenyl]ethanol
CID 114069706
(2S)-1-[3-[4-amino-3-chloro-N-(3-methylbutyl)anilino]pyrrolidin-1-yl]-2-hydroxypropan-1-one
CID 89265603
4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157
4-[cyclopropyl(3-methylbutyl)amino]-2-methylbenzaldehyde
CID 78944541
N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
CID 78944932
5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
CID 102864148
6-[cyclopropyl(3-methylbutyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81301777
1-[[3-chloro-4-(1-hydroxyethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950286
[3-[4-amino-3-chloro-N-(3-methylbutyl)anilino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 89265607
2-chloro-4-[[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]-(3-methylbutyl)amino]benzonitrile
CID 143704111
3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline
CID 64522368

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol (CID 78992152) is 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol is CC(C)CCN(c1ccc(C(C)O)c(Cl)c1)C1CC1.
What is the InChIKey of 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol?
The InChIKey is FWZTVBKLIBYADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(2)8-9-18(13-4-5-13)14-6-7-15(12(3)19)16(17)10-14/h6-7,10-13,19H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol?
1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol has a molecular weight of 281.83 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[cyclopropyl(3-methylbutyl)amino]phenyl]ethanol is sourced from PubChem (CID 78992152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).