4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol

C18H22FNO — CID 68674871

IUPAC4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol
SMILESNCC1(c2ccc3ccccc3c2)CCC(O)(CF)CC1
InChIInChI=1S/C18H22FNO/c19-12-18(21)9-7-17(13-20,8-10-18)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,21H,7-10,12-13,20H2
InChIKeyFXSIBECSKQPADN-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.31
Rot. Bonds3

About 4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol

4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 68674871) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol
PubChem CID68674871
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol
SMILESNCC1(c2ccc3ccccc3c2)CCC(O)(CF)CC1
InChIInChI=1S/C18H22FNO/c19-12-18(21)9-7-17(13-20,8-10-18)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,21H,7-10,12-13,20H2
InChIKeyFXSIBECSKQPADN-UHFFFAOYSA-N
XLogP3.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Dimethylamino)methyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
CID 58954900
1-Methyl-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
CID 68673872
(4-Fluoro-1-naphthalen-2-ylcyclohexyl)methanamine
CID 58954943
1-(Fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
CID 68674881
4-[(Dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol
CID 68674974
4-[(Dimethylamino)methyl]-4-naphthalen-2-ylcyclohexan-1-ol
CID 68673415
4-[1-(Dimethylamino)ethyl]-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
CID 68674870
4-(Aminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
CID 68674878
4-(Methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
CID 68675435
4-[1-(Methylamino)ethyl]-4-naphthalen-2-ylcyclohexan-1-ol
CID 154826578
4-(Aminomethyl)-1-methyl-4-naphthalen-2-ylcyclohexan-1-ol
CID 58954892
4b-(2-Aminoethyl)-3-fluoro-5,6,7,8,9,10-hexahydrophenanthren-8a-ol
CID 20095737

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of 4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol (CID 68674871) is 4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for 4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol is NCC1(c2ccc3ccccc3c2)CCC(O)(CF)CC1.
What is the InChIKey of 4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is FXSIBECSKQPADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c19-12-18(21)9-7-17(13-20,8-10-18)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,21H,7-10,12-13,20H2.
What are the key properties of 4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 287.38 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 4-(aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 68674871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).