2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol

C23H29F3N2O — CID 139369069

IUPAC2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol
SMILESOCC(NC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C23H29F3N2O/c24-23(25,26)22(17-29)27-20-11-13-21(14-12-20)28(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20-22,27,29H,11-17H2
InChIKeyQXBOBNBOKANGGY-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.51
Rot. Bonds8

About 2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol

2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol (PubChem CID 139369069) has the molecular formula C23H29F3N2O and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol
PubChem CID139369069
Molecular FormulaC23H29F3N2O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol
SMILESOCC(NC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C23H29F3N2O/c24-23(25,26)22(17-29)27-20-11-13-21(14-12-20)28(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20-22,27,29H,11-17H2
InChIKeyQXBOBNBOKANGGY-UHFFFAOYSA-N
XLogP4.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
N,N-dibenzylcyclobutanamine
CID 70822586
N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine
CID 71237036
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
[4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol
CID 110008967
[(3R)-3-(dibenzylamino)cyclopentyl]methanol
CID 141255961
[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol
CID 110008215
4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine
CID 69308518
3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol
CID 163295936
4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine
CID 153404785
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol (CID 139369069) is 2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol is OCC(NC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol?
The InChIKey is QXBOBNBOKANGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O/c24-23(25,26)22(17-29)27-20-11-13-21(14-12-20)28(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20-22,27,29H,11-17H2.
What are the key properties of 2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol?
2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol has a molecular weight of 406.49 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 139369069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).