[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol

C14H19NO — CID 107908377

IUPAC[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNC2C=CCCC2)cc1
InChIInChI=1S/C14H19NO/c16-11-13-8-6-12(7-9-13)10-15-14-4-2-1-3-5-14/h2,4,6-9,14-16H,1,3,5,10-11H2
InChIKeyUUGHDLBHTBTRRG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.38
Rot. Bonds4

About [4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol

[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol (PubChem CID 107908377) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
PubChem CID107908377
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol
SMILESOCc1ccc(CNC2C=CCCC2)cc1
InChIInChI=1S/C14H19NO/c16-11-13-8-6-12(7-9-13)10-15-14-4-2-1-3-5-14/h2,4,6-9,14-16H,1,3,5,10-11H2
InChIKeyUUGHDLBHTBTRRG-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 103953716
(1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine
CID 122395364
4-chloro-2-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 115693366
4-bromo-2-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 115693409
2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol
CID 115693427
4-[[4-(hydroxymethyl)phenyl]methylamino]cyclohexan-1-ol
CID 107229822
N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclohex-2-en-1-amine
CID 115693401
2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol
CID 114227893
N-[(2-methoxy-4-pyridinyl)methyl]cyclohex-2-en-1-amine
CID 107906947
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
CID 107229803

Frequently Asked Questions

What is the IUPAC name of [4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol?
The IUPAC name of [4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol (CID 107908377) is [4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol is OCc1ccc(CNC2C=CCCC2)cc1.
What is the InChIKey of [4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol?
The InChIKey is UUGHDLBHTBTRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c16-11-13-8-6-12(7-9-13)10-15-14-4-2-1-3-5-14/h2,4,6-9,14-16H,1,3,5,10-11H2.
What are the key properties of [4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol?
[4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol has a molecular weight of 217.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(cyclohex-2-en-1-ylamino)methyl]phenyl]methanol is sourced from PubChem (CID 107908377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).