(1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol

C21H26FNO — CID 71500771

IUPAC(1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol
SMILESO[C@H]1[C@H](N(Cc2ccccc2)Cc2ccccc2)CCCC[C@@H]1F
InChIInChI=1S/C21H26FNO/c22-19-13-7-8-14-20(21(19)24)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19-21,24H,7-8,13-16H2/t19-,20+,21+/m0/s1
InChIKeyODUKFEJQADUMGP-PWRODBHTSA-N
MW327.44 g/mol
LogP4.33
Rot. Bonds5

About (1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol

(1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol (PubChem CID 71500771) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is (1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol.

Molecular Properties

Compound Name(1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol
PubChem CID71500771
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name(1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol
SMILESO[C@H]1[C@H](N(Cc2ccccc2)Cc2ccccc2)CCCC[C@@H]1F
InChIInChI=1S/C21H26FNO/c22-19-13-7-8-14-20(21(19)24)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19-21,24H,7-8,13-16H2/t19-,20+,21+/m0/s1
InChIKeyODUKFEJQADUMGP-PWRODBHTSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
2-(dibenzylamino)cyclohexan-1-ol;methanesulfonic acid
CID 86743264
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161
N,N-dibenzylcyclobutanamine
CID 70822586
1-N-benzyl-1-N,2-N,2-N-tris(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 91027062
4-(dibenzylamino)oxolan-3-ol
CID 130502990
trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
CID 102375757
trans-(1S,2S)-2-[benzyl-[(1-methylindol-3-yl)methyl]amino]cyclohexan-1-ol
CID 95242640
(2R)-4-(dibenzylamino)-6-methyloxane-2,3-diol
CID 140863633
bis(acetonitrile);bis(copper(1+));bis(dichloromethane);bis(trans-(1R,2R)-1-N,1-N,2-N,2-N-tetrabenzylcyclohexane-1,2-diamine);bis(trifluoromethanesulfonate)
CID 139129768
2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile
CID 62115637
2-[(2-aminocyclopentyl)-benzylamino]ethanol
CID 62114262

Frequently Asked Questions

What is the IUPAC name of (1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol?
The IUPAC name of (1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol (CID 71500771) is (1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol.
What is the SMILES notation for (1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol?
The canonical SMILES for (1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol is O[C@H]1[C@H](N(Cc2ccccc2)Cc2ccccc2)CCCC[C@@H]1F.
What is the InChIKey of (1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol?
The InChIKey is ODUKFEJQADUMGP-PWRODBHTSA-N. The full InChI is InChI=1S/C21H26FNO/c22-19-13-7-8-14-20(21(19)24)23(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19-21,24H,7-8,13-16H2/t19-,20+,21+/m0/s1.
What are the key properties of (1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol?
(1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol has a molecular weight of 327.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S)-2-(dibenzylamino)-7-fluorocycloheptan-1-ol is sourced from PubChem (CID 71500771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).