[3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol

C16H26ClNO — CID 81152681

IUPAC[3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
SMILESCCC(CC)N(CC(C)C)c1ccc(CO)cc1Cl
InChIInChI=1S/C16H26ClNO/c1-5-14(6-2)18(10-12(3)4)16-8-7-13(11-19)9-15(16)17/h7-9,12,14,19H,5-6,10-11H2,1-4H3
InChIKeyKEXPYCJFMDJPOL-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.48
Rot. Bonds7

About [3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol

[3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol (PubChem CID 81152681) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is [3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
PubChem CID81152681
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name[3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
SMILESCCC(CC)N(CC(C)C)c1ccc(CO)cc1Cl
InChIInChI=1S/C16H26ClNO/c1-5-14(6-2)18(10-12(3)4)16-8-7-13(11-19)9-15(16)17/h7-9,12,14,19H,5-6,10-11H2,1-4H3
InChIKeyKEXPYCJFMDJPOL-UHFFFAOYSA-N
XLogP4.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.48
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

4-(2-aminopropyl)-2-chloro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 81159811
[4-[bis(3-methylbutyl)amino]-3-chlorophenyl]methanol
CID 107870425
[4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 114845738
[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol
CID 81151916
4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
2-[2-chloro-4-(methylaminomethyl)-N-pentan-3-ylanilino]ethanol
CID 81149182
[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
CID 81151908
[4-bromo-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
CID 79483470
1-[3-chloro-4-[2-hydroxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 62908529
5-chloro-2-[2-methylpropyl(pentan-3-yl)amino]benzonitrile
CID 79491249
5-chloro-N'-hydroxy-2-[2-methylpropyl(pentan-3-yl)amino]benzenecarboximidamide
CID 79490935
(1R)-1-[3-bromo-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]ethanol
CID 79483552

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
The IUPAC name of [3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol (CID 81152681) is [3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
The canonical SMILES for [3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol is CCC(CC)N(CC(C)C)c1ccc(CO)cc1Cl.
What is the InChIKey of [3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
The InChIKey is KEXPYCJFMDJPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-14(6-2)18(10-12(3)4)16-8-7-13(11-19)9-15(16)17/h7-9,12,14,19H,5-6,10-11H2,1-4H3.
What are the key properties of [3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
[3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol has a molecular weight of 283.84 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol is sourced from PubChem (CID 81152681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).