2-fluoro-4-[(heptan-2-ylamino)methyl]phenol

C14H22FNO — CID 103784673

IUPAC2-fluoro-4-[(heptan-2-ylamino)methyl]phenol
SMILESCCCCCC(C)NCc1ccc(O)c(F)c1
InChIInChI=1S/C14H22FNO/c1-3-4-5-6-11(2)16-10-12-7-8-14(17)13(15)9-12/h7-9,11,16-17H,3-6,10H2,1-2H3
InChIKeyUHOXREHYFMTCOU-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.59
Rot. Bonds7

About 2-fluoro-4-[(heptan-2-ylamino)methyl]phenol

2-fluoro-4-[(heptan-2-ylamino)methyl]phenol (PubChem CID 103784673) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-fluoro-4-[(heptan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(heptan-2-ylamino)methyl]phenol
PubChem CID103784673
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-fluoro-4-[(heptan-2-ylamino)methyl]phenol
SMILESCCCCCC(C)NCc1ccc(O)c(F)c1
InChIInChI=1S/C14H22FNO/c1-3-4-5-6-11(2)16-10-12-7-8-14(17)13(15)9-12/h7-9,11,16-17H,3-6,10H2,1-2H3
InChIKeyUHOXREHYFMTCOU-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402
2,6-difluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 79831410
4-[(hexan-2-ylamino)methyl]benzene-1,2-diol
CID 62196921
2,6-difluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 79891666
4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
CID 115722404
4-[(heptan-2-ylamino)methyl]benzene-1,3-diol
CID 43572707
2-fluoro-5-[(hexan-2-ylamino)methyl]benzonitrile
CID 114012120
N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine
CID 43081026
4-[(heptan-2-ylamino)methyl]benzene-1,2,3-triol
CID 103953106
N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534688
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(heptan-2-ylamino)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(heptan-2-ylamino)methyl]phenol (CID 103784673) is 2-fluoro-4-[(heptan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(heptan-2-ylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(heptan-2-ylamino)methyl]phenol is CCCCCC(C)NCc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(heptan-2-ylamino)methyl]phenol?
The InChIKey is UHOXREHYFMTCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-4-5-6-11(2)16-10-12-7-8-14(17)13(15)9-12/h7-9,11,16-17H,3-6,10H2,1-2H3.
What are the key properties of 2-fluoro-4-[(heptan-2-ylamino)methyl]phenol?
2-fluoro-4-[(heptan-2-ylamino)methyl]phenol has a molecular weight of 239.33 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(heptan-2-ylamino)methyl]phenol is sourced from PubChem (CID 103784673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).