3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol

C15H22ClNO — CID 113276518

IUPAC3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol
SMILESCCC1CCC(NCc2c(O)cccc2Cl)C1C
InChIInChI=1S/C15H22ClNO/c1-3-11-7-8-14(10(11)2)17-9-12-13(16)5-4-6-15(12)18/h4-6,10-11,14,17-18H,3,7-9H2,1-2H3
InChIKeyULABJGJDZLVUTB-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.96
Rot. Bonds4

About 3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol

3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol (PubChem CID 113276518) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol
PubChem CID113276518
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol
SMILESCCC1CCC(NCc2c(O)cccc2Cl)C1C
InChIInChI=1S/C15H22ClNO/c1-3-11-7-8-14(10(11)2)17-9-12-13(16)5-4-6-15(12)18/h4-6,10-11,14,17-18H,3,7-9H2,1-2H3
InChIKeyULABJGJDZLVUTB-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.96
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

N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
3-chloro-2-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 78960343
2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 115540774
N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 66159387
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
3-ethyl-2-methyl-N-(1H-pyrrol-2-ylmethyl)cyclopentan-1-amine
CID 64923322
3-[(2-chloro-6-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 113277184
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735
N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64923688
3-chloro-2-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79831452
3-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 64921153
3-chloro-2-[[(2-methyloxan-4-yl)amino]methyl]phenol
CID 113346316

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol (CID 113276518) is 3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol is CCC1CCC(NCc2c(O)cccc2Cl)C1C.
What is the InChIKey of 3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol?
The InChIKey is ULABJGJDZLVUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-11-7-8-14(10(11)2)17-9-12-13(16)5-4-6-15(12)18/h4-6,10-11,14,17-18H,3,7-9H2,1-2H3.
What are the key properties of 3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol?
3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol has a molecular weight of 267.80 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol is sourced from PubChem (CID 113276518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).