2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol

C20H32FNO — CID 19862204

IUPAC2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCCCC(N)(CCC)C1CCCCC1(O)Cc1ccccc1F
InChIInChI=1S/C20H32FNO/c1-3-12-19(22,13-4-2)18-11-7-8-14-20(18,23)15-16-9-5-6-10-17(16)21/h5-6,9-10,18,23H,3-4,7-8,11-15,22H2,1-2H3
InChIKeyDIOOBHFHUSAJQV-UHFFFAOYSA-N
MW321.48 g/mol
LogP4.59
Rot. Bonds7

About 2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol

2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 19862204) has the molecular formula C20H32FNO and a molecular weight of 321.48 g/mol. Its IUPAC name is 2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
PubChem CID19862204
Molecular FormulaC20H32FNO
Molecular Weight321.48 g/mol
Exact Mass321.25
IUPAC Name2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
SMILESCCCC(N)(CCC)C1CCCCC1(O)Cc1ccccc1F
InChIInChI=1S/C20H32FNO/c1-3-12-19(22,13-4-2)18-11-7-8-14-20(18,23)15-16-9-5-6-10-17(16)21/h5-6,9-10,18,23H,3-4,7-8,11-15,22H2,1-2H3
InChIKeyDIOOBHFHUSAJQV-UHFFFAOYSA-N
XLogP4.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233395
trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233397
cis-(1R,2R)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233399
1-[(2,5-Difluorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 13233404
2-(Diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233420
2-[(Dipropylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233430
1-[3-(Dimethylamino)propyl]-2-(2-fluorophenyl)cyclohexan-1-ol
CID 13882256
1-[3-(Diethylamino)propyl]-2-(2-fluorophenyl)cyclohexan-1-ol
CID 13882311
trans-(1R,2S)-1-[3-(diethylamino)propyl]-2-(2-fluorophenyl)cyclohexan-1-ol
CID 13882313
1-[2-(Dimethylamino)ethyl]-2-(2-fluorophenyl)cyclohexan-1-ol
CID 13882316
cis-(1R,2R)-1-[2-(dimethylamino)ethyl]-2-(2-fluorophenyl)cyclohexan-1-ol
CID 13882318
cis-(1S,2S)-2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 18638106

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol (CID 19862204) is 2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol is CCCC(N)(CCC)C1CCCCC1(O)Cc1ccccc1F.
What is the InChIKey of 2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is DIOOBHFHUSAJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FNO/c1-3-12-19(22,13-4-2)18-11-7-8-14-20(18,23)15-16-9-5-6-10-17(16)21/h5-6,9-10,18,23H,3-4,7-8,11-15,22H2,1-2H3.
What are the key properties of 2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol?
2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 321.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoheptan-4-yl)-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 19862204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).