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

C13H18ClNO — CID 63278120

IUPAC4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
SMILESCC1CCCC1NCc1cc(Cl)ccc1O
InChIInChI=1S/C13H18ClNO/c1-9-3-2-4-12(9)15-8-10-7-11(14)5-6-13(10)16/h5-7,9,12,15-16H,2-4,8H2,1H3
InChIKeySIOCGUBYXQZSEO-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.32
Rot. Bonds3

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

4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol (PubChem CID 63278120) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
PubChem CID63278120
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
SMILESCC1CCCC1NCc1cc(Cl)ccc1O
InChIInChI=1S/C13H18ClNO/c1-9-3-2-4-12(9)15-8-10-7-11(14)5-6-13(10)16/h5-7,9,12,15-16H,2-4,8H2,1H3
InChIKeySIOCGUBYXQZSEO-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 82726060
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 103792995
4-chloro-2-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 115693366
2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol
CID 14751591
4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900
2,5-bis[[(2-methylcyclopentyl)amino]methyl]naphthalene-1,6-diol;dihydrochloride
CID 23052256
N-[(4-chloro-2-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 62102230
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol (CID 63278120) is 4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol is CC1CCCC1NCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol?
The InChIKey is SIOCGUBYXQZSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-3-2-4-12(9)15-8-10-7-11(14)5-6-13(10)16/h5-7,9,12,15-16H,2-4,8H2,1H3.
What are the key properties of 4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol?
4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol has a molecular weight of 239.75 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol is sourced from PubChem (CID 63278120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).