2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol

C15H23ClN2O — CID 112554690

IUPAC2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
SMILESCN(CCNCc1cccc(Cl)c1O)C1CCCC1
InChIInChI=1S/C15H23ClN2O/c1-18(13-6-2-3-7-13)10-9-17-11-12-5-4-8-14(16)15(12)19/h4-5,8,13,17,19H,2-3,6-7,9-11H2,1H3
InChIKeyNVZOSWKPXXNJMY-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.01
Rot. Bonds6

About 2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol

2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol (PubChem CID 112554690) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
PubChem CID112554690
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
SMILESCN(CCNCc1cccc(Cl)c1O)C1CCCC1
InChIInChI=1S/C15H23ClN2O/c1-18(13-6-2-3-7-13)10-9-17-11-12-5-4-8-14(16)15(12)19/h4-5,8,13,17,19H,2-3,6-7,9-11H2,1H3
InChIKeyNVZOSWKPXXNJMY-UHFFFAOYSA-N
XLogP3.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
CID 114136728
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 63318484
2-chloro-6-[(2-cyclopentyloxyethylamino)methyl]phenol
CID 112554358
2-chloro-6-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]phenol
CID 112554421
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 62975885
2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 112554056
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol (CID 112554690) is 2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol is CN(CCNCc1cccc(Cl)c1O)C1CCCC1.
What is the InChIKey of 2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol?
The InChIKey is NVZOSWKPXXNJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-18(13-6-2-3-7-13)10-9-17-11-12-5-4-8-14(16)15(12)19/h4-5,8,13,17,19H,2-3,6-7,9-11H2,1H3.
What are the key properties of 2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol?
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol has a molecular weight of 282.81 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol is sourced from PubChem (CID 112554690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).