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

C19H24FNO — CID 68674881

IUPAC1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCNCC1(c2ccc3ccccc3c2)CCC(O)(CF)CC1
InChIInChI=1S/C19H24FNO/c1-21-14-18(8-10-19(22,13-20)11-9-18)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,21-22H,8-11,13-14H2,1H3
InChIKeyYDGWQVAPZXJCRQ-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.57
Rot. Bonds4

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

1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol (PubChem CID 68674881) has the molecular formula C19H24FNO and a molecular weight of 301.40 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
PubChem CID68674881
Molecular FormulaC19H24FNO
Molecular Weight301.40 g/mol
Exact Mass301.18
IUPAC Name1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
SMILESCNCC1(c2ccc3ccccc3c2)CCC(O)(CF)CC1
InChIInChI=1S/C19H24FNO/c1-21-14-18(8-10-19(22,13-20)11-9-18)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,21-22H,8-11,13-14H2,1H3
InChIKeyYDGWQVAPZXJCRQ-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.57
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
1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine
CID 58954794
4-(Aminomethyl)-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol
CID 68674871
4-[(Dimethylamino)methyl]-1-(fluoromethyl)-4-naphthalen-2-ylcyclohexan-1-ol
CID 68674974
trans-(1R,2S)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol
CID 58954977
trans-(1S,2R)-2-(methylaminomethyl)-2-naphthalen-2-ylcyclohexan-1-ol
CID 58954979
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

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol (CID 68674881) is 1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol is CNCC1(c2ccc3ccccc3c2)CCC(O)(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
The InChIKey is YDGWQVAPZXJCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-21-14-18(8-10-19(22,13-20)11-9-18)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,12,21-22H,8-11,13-14H2,1H3.
What are the key properties of 1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol?
1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol has a molecular weight of 301.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 68674881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).