4-[(4R)-4,5-diaminopentyl]phenol

C11H18N2O — CID 67087005

IUPAC4-[(4R)-4,5-diaminopentyl]phenol
SMILESNC[C@H](N)CCCc1ccc(O)cc1
InChIInChI=1S/C11H18N2O/c12-8-10(13)3-1-2-9-4-6-11(14)7-5-9/h4-7,10,14H,1-3,8,12-13H2/t10-/m1/s1
InChIKeyRJRCJMSPORQMGQ-SNVBAGLBSA-N
MW194.28 g/mol
LogP1.00
Rot. Bonds5

About 4-[(4R)-4,5-diaminopentyl]phenol

4-[(4R)-4,5-diaminopentyl]phenol (PubChem CID 67087005) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-[(4R)-4,5-diaminopentyl]phenol.

Molecular Properties

Compound Name4-[(4R)-4,5-diaminopentyl]phenol
PubChem CID67087005
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-[(4R)-4,5-diaminopentyl]phenol
SMILESNC[C@H](N)CCCc1ccc(O)cc1
InChIInChI=1S/C11H18N2O/c12-8-10(13)3-1-2-9-4-6-11(14)7-5-9/h4-7,10,14H,1-3,8,12-13H2/t10-/m1/s1
InChIKeyRJRCJMSPORQMGQ-SNVBAGLBSA-N
XLogP1.00
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(3-aminopropyl)phenol
CID 4574248
4-[4,4-bis(4-hydroxyphenyl)butyl]phenol
CID 56999686
4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
4-(3-fluoropropyl)phenol
CID 68765958
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-(12-hydroxydodecyl)phenol
CID 139809285
4-(4-methylpentyl)phenol;phenol
CID 174866001
(2S)-2-hydroxy-5-(4-hydroxyphenyl)pentanoic acid
CID 139906283
4-(8-sulfanyloctyl)phenol
CID 58675994
4-(6-iodohexyl)phenol
CID 23455799
4-(2-aminooctyl)phenol
CID 69403996

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4,5-diaminopentyl]phenol?
The IUPAC name of 4-[(4R)-4,5-diaminopentyl]phenol (CID 67087005) is 4-[(4R)-4,5-diaminopentyl]phenol.
What is the SMILES notation for 4-[(4R)-4,5-diaminopentyl]phenol?
The canonical SMILES for 4-[(4R)-4,5-diaminopentyl]phenol is NC[C@H](N)CCCc1ccc(O)cc1.
What is the InChIKey of 4-[(4R)-4,5-diaminopentyl]phenol?
The InChIKey is RJRCJMSPORQMGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O/c12-8-10(13)3-1-2-9-4-6-11(14)7-5-9/h4-7,10,14H,1-3,8,12-13H2/t10-/m1/s1.
What are the key properties of 4-[(4R)-4,5-diaminopentyl]phenol?
4-[(4R)-4,5-diaminopentyl]phenol has a molecular weight of 194.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4,5-diaminopentyl]phenol is sourced from PubChem (CID 67087005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).