2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol

C14H20FNO — CID 105499407

IUPAC2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol
SMILESNCC1(C(F)c2ccccc2O)CCCCC1
InChIInChI=1S/C14H20FNO/c15-13(11-6-2-3-7-12(11)17)14(10-16)8-4-1-5-9-14/h2-3,6-7,13,17H,1,4-5,8-10,16H2
InChIKeyBVDMIHYKZDSSJR-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.31
Rot. Bonds3

About 2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol

2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol (PubChem CID 105499407) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol
PubChem CID105499407
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol
SMILESNCC1(C(F)c2ccccc2O)CCCCC1
InChIInChI=1S/C14H20FNO/c15-13(11-6-2-3-7-12(11)17)14(10-16)8-4-1-5-9-14/h2-3,6-7,13,17H,1,4-5,8-10,16H2
InChIKeyBVDMIHYKZDSSJR-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol
CID 105463099
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol
CID 125454175
[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
CID 79123286
[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
CID 79137587
1-[1-(aminomethyl)cyclohexyl]-3-phenylbutan-1-ol
CID 79138486
2-(difluoromethyl)phenol
CID 21386914
2-[1,4-diamino-3-(2-hydroxyphenyl)butan-2-yl]phenol
CID 170875368
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol
CID 80603622
[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol
CID 79134631

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol?
The IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol (CID 105499407) is 2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol?
The canonical SMILES for 2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol is NCC1(C(F)c2ccccc2O)CCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol?
The InChIKey is BVDMIHYKZDSSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-13(11-6-2-3-7-12(11)17)14(10-16)8-4-1-5-9-14/h2-3,6-7,13,17H,1,4-5,8-10,16H2.
What are the key properties of 2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol?
2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol has a molecular weight of 237.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol is sourced from PubChem (CID 105499407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).