2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol

C14H20ClNO — CID 82980683

IUPAC2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(Cl)c1)CC1CCCC1
InChIInChI=1S/C14H20ClNO/c1-16(9-11-4-2-3-5-11)10-12-6-7-14(17)13(15)8-12/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyCNXALYCORCJDNJ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.67
Rot. Bonds4

About 2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol

2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol (PubChem CID 82980683) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
PubChem CID82980683
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(Cl)c1)CC1CCCC1
InChIInChI=1S/C14H20ClNO/c1-16(9-11-4-2-3-5-11)10-12-6-7-14(17)13(15)8-12/h6-8,11,17H,2-5,9-10H2,1H3
InChIKeyCNXALYCORCJDNJ-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
2-chloro-4-[[[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenol
CID 42461723
3-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82981120
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146
2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 107694066
N-[(2-chloro-4-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 62045515
2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol
CID 82982535
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 115557204
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol (CID 82980683) is 2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol is CN(Cc1ccc(O)c(Cl)c1)CC1CCCC1.
What is the InChIKey of 2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol?
The InChIKey is CNXALYCORCJDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16(9-11-4-2-3-5-11)10-12-6-7-14(17)13(15)8-12/h6-8,11,17H,2-5,9-10H2,1H3.
What are the key properties of 2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol?
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol has a molecular weight of 253.77 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol is sourced from PubChem (CID 82980683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).