2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride

C16H27ClN2O — CID 171197889

IUPAC2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride
SMILESCCN(CC)c1ccc([C@H](N)C2CCCC2)c(O)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-3-18(4-2)13-9-10-14(15(19)11-13)16(17)12-7-5-6-8-12;/h9-12,16,19H,3-8,17H2,1-2H3;1H/t16-;/m1./s1
InChIKeyCWUYCDPSKGCHDU-PKLMIRHRSA-N
MW298.86 g/mol
LogP3.85
Rot. Bonds5

About 2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride

2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride (PubChem CID 171197889) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride
PubChem CID171197889
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride
SMILESCCN(CC)c1ccc([C@H](N)C2CCCC2)c(O)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-3-18(4-2)13-9-10-14(15(19)11-13)16(17)12-7-5-6-8-12;/h9-12,16,19H,3-8,17H2,1-2H3;1H/t16-;/m1./s1
InChIKeyCWUYCDPSKGCHDU-PKLMIRHRSA-N
XLogP3.85
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(S)-amino(cyclohexyl)methyl]-5-(diethylamino)phenol;hydrochloride
CID 171217400
2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol
CID 171217385
2-[(1R)-1-amino-2,2-difluoroethyl]-5-(diethylamino)phenol;hydrochloride
CID 171238756
2-[(1S)-1-amino-3-fluoropropyl]-5-(diethylamino)phenol;hydrochloride
CID 171217392
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
2-[(R)-amino(cyclobutyl)methyl]-5-fluorophenol
CID 131076706
2-[(1S)-1-amino-3-methylbutyl]-5-(diethylamino)phenol
CID 171217383
4-[(R)-amino(cyclopropyl)methyl]benzene-1,3-diol;hydrochloride
CID 171200126
2-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-5-(diethylamino)phenol;hydrochloride
CID 171266478
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
2-[(R)-amino(cyclobutyl)methyl]-5-bromophenol
CID 130901915

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride (CID 171197889) is 2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride is CCN(CC)c1ccc([C@H](N)C2CCCC2)c(O)c1.Cl.
What is the InChIKey of 2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride?
The InChIKey is CWUYCDPSKGCHDU-PKLMIRHRSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-3-18(4-2)13-9-10-14(15(19)11-13)16(17)12-7-5-6-8-12;/h9-12,16,19H,3-8,17H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride?
2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride is sourced from PubChem (CID 171197889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).