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

C16H26ClNO — CID 114845738

IUPAC[4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
SMILESCCC(CC)N(CC(C)C)c1cc(Cl)ccc1CO
InChIInChI=1S/C16H26ClNO/c1-5-15(6-2)18(10-12(3)4)16-9-14(17)8-7-13(16)11-19/h7-9,12,15,19H,5-6,10-11H2,1-4H3
InChIKeyUCMPWVCHLRQEJJ-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.48
Rot. Bonds7

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

[4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol (PubChem CID 114845738) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is [4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
PubChem CID114845738
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name[4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol
SMILESCCC(CC)N(CC(C)C)c1cc(Cl)ccc1CO
InChIInChI=1S/C16H26ClNO/c1-5-15(6-2)18(10-12(3)4)16-9-14(17)8-7-13(16)11-19/h7-9,12,15,19H,5-6,10-11H2,1-4H3
InChIKeyUCMPWVCHLRQEJJ-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

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Related Compounds

10-Hydroxyclomipramine
CID 154699866
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 22275595
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 44432740
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 44432742
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 44432746
4-chloro-N-[5-chloro-2-(hydroxymethyl)phenyl]-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 44432784
N-[(2R)-butan-2-yl]-N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide
CID 44432804
N-[5-chloro-2-(hydroxymethyl)phenyl]-4-methyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 44432807
[3-[(3-chloro-N-ethyl-4-methylanilino)methyl]phenyl]methanol
CID 118349184
Benzenemethanol, 2-chloro-4-(4-(1-methylethyl)-1-piperazinyl)-
CID 3059225
(2-(Diethylamino)phenyl)methanol
CID 13021763
Hydroxyclomipramine
CID 6420913

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
The IUPAC name of [4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol (CID 114845738) is [4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
The canonical SMILES for [4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol is CCC(CC)N(CC(C)C)c1cc(Cl)ccc1CO.
What is the InChIKey of [4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
The InChIKey is UCMPWVCHLRQEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-15(6-2)18(10-12(3)4)16-9-14(17)8-7-13(16)11-19/h7-9,12,15,19H,5-6,10-11H2,1-4H3.
What are the key properties of [4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol?
[4-chloro-2-[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 [4-chloro-2-[2-methylpropyl(pentan-3-yl)amino]phenyl]methanol is sourced from PubChem (CID 114845738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).