5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol

C16H26N2O2 — CID 63315050

IUPAC5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCCN(C)C2CCCC2)cc1O
InChIInChI=1S/C16H26N2O2/c1-18(14-5-3-4-6-14)10-9-17-12-13-7-8-16(20-2)15(19)11-13/h7-8,11,14,17,19H,3-6,9-10,12H2,1-2H3
InChIKeyVQTLLDYCPXVRPQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds7

About 5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol

5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol (PubChem CID 63315050) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol
PubChem CID63315050
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNCCN(C)C2CCCC2)cc1O
InChIInChI=1S/C16H26N2O2/c1-18(14-5-3-4-6-14)10-9-17-12-13-7-8-16(20-2)15(19)11-13/h7-8,11,14,17,19H,3-6,9-10,12H2,1-2H3
InChIKeyVQTLLDYCPXVRPQ-UHFFFAOYSA-N
XLogP2.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 119127207
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
N-[(4-bromo-3-methylphenyl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 66472639
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 63314701
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673447
2-methoxy-5-[[[(E)-pent-3-enyl]amino]methyl]phenol
CID 115629089
2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804
5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol
CID 82983306
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
CID 54927262
4-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027875
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol (CID 63315050) is 5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol is COc1ccc(CNCCN(C)C2CCCC2)cc1O.
What is the InChIKey of 5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol?
The InChIKey is VQTLLDYCPXVRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-18(14-5-3-4-6-14)10-9-17-12-13-7-8-16(20-2)15(19)11-13/h7-8,11,14,17,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol?
5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol has a molecular weight of 278.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 63315050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).