3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol

C18H29NO3 — CID 111434933

IUPAC3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
SMILESOCCCCCN(Cc1cccc(O)c1)C1CCC(O)CC1
InChIInChI=1S/C18H29NO3/c20-12-3-1-2-11-19(16-7-9-17(21)10-8-16)14-15-5-4-6-18(22)13-15/h4-6,13,16-17,20-22H,1-3,7-12,14H2
InChIKeyFPQLQSYOASQSNI-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.66
Rot. Bonds8

About 3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol

3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol (PubChem CID 111434933) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
PubChem CID111434933
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol
SMILESOCCCCCN(Cc1cccc(O)c1)C1CCC(O)CC1
InChIInChI=1S/C18H29NO3/c20-12-3-1-2-11-19(16-7-9-17(21)10-8-16)14-15-5-4-6-18(22)13-15/h4-6,13,16-17,20-22H,1-3,7-12,14H2
InChIKeyFPQLQSYOASQSNI-UHFFFAOYSA-N
XLogP2.66
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
N,N-diethyl-2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]acetamide
CID 110929697
3-[[(6-chloro-3-pyridinyl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 111434936
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
3-[[cyclopropyl(2-ethoxyethyl)amino]methyl]phenol
CID 56795293
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-hydroxycyclohexyl)amino]methyl]phenol
CID 110919062
3-[[(4-hydroxycyclohexyl)-[(2-methyl-1,3-oxazol-5-yl)methyl]amino]methyl]phenol
CID 146138888
2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
CID 154747579

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol?
The IUPAC name of 3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol (CID 111434933) is 3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol is OCCCCCN(Cc1cccc(O)c1)C1CCC(O)CC1.
What is the InChIKey of 3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol?
The InChIKey is FPQLQSYOASQSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c20-12-3-1-2-11-19(16-7-9-17(21)10-8-16)14-15-5-4-6-18(22)13-15/h4-6,13,16-17,20-22H,1-3,7-12,14H2.
What are the key properties of 3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol?
3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol has a molecular weight of 307.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydroxycyclohexyl)-(5-hydroxypentyl)amino]methyl]phenol is sourced from PubChem (CID 111434933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).