2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride

C21H21Cl2NO2 — CID 21273707

IUPAC2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
SMILESCC(CO)(CO)NCc1ccc2c(c1)-c1ccc(Cl)c3cccc-2c13.Cl
InChIInChI=1S/C21H20ClNO2.ClH/c1-21(11-24,12-25)23-10-13-5-6-14-15-3-2-4-17-19(22)8-7-16(20(15)17)18(14)9-13;/h2-9,23-25H,10-12H2,1H3;1H
InChIKeySSKYLYNHIRUIPA-UHFFFAOYSA-N
MW390.31 g/mol
LogP4.40
Rot. Bonds5

About 2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride

2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride (PubChem CID 21273707) has the molecular formula C21H21Cl2NO2 and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
PubChem CID21273707
Molecular FormulaC21H21Cl2NO2
Molecular Weight390.31 g/mol
Exact Mass389.09
IUPAC Name2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride
SMILESCC(CO)(CO)NCc1ccc2c(c1)-c1ccc(Cl)c3cccc-2c13.Cl
InChIInChI=1S/C21H20ClNO2.ClH/c1-21(11-24,12-25)23-10-13-5-6-14-15-3-2-4-17-19(22)8-7-16(20(15)17)18(14)9-13;/h2-9,23-25H,10-12H2,1H3;1H
InChIKeySSKYLYNHIRUIPA-UHFFFAOYSA-N
XLogP4.40
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-bromo-4-[[3-[3-[[2-bromo-4-[[(1,3-dihydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]methyl]-2-chlorophenyl]-2-chlorophenyl]methoxy]phenyl]methylamino]-2-methylpropane-1,3-diol
CID 134305016
2-[(4,5-dichloroanthracen-9-yl)methylamino]-2-methylpropane-1,3-diol;methanesulfonic acid
CID 13375302
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 81145012
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 82759972
2-([1]benzofuro[5,4-b][1]benzofuran-9-ylmethylamino)-2-methylpropane-1,3-diol
CID 15170266
2-(benzo[a]anthracen-6-ylmethylamino)-2-methylpropane-1,3-diol
CID 21282422
2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol
CID 102609433
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropane-1,3-diol
CID 84597784
2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 79810535
1-[3-(4-chloronaphthalen-1-yl)-4-methylphenyl]-N-methylmethanamine
CID 105410094
4,8-dichlorobenzo[a]phenalen-7-one
CID 154137372
2-methyl-2-[(10-methylanthracen-9-yl)methylamino]propane-1,3-diol
CID 13375294

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride?
The IUPAC name of 2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride (CID 21273707) is 2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride?
The canonical SMILES for 2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride is CC(CO)(CO)NCc1ccc2c(c1)-c1ccc(Cl)c3cccc-2c13.Cl.
What is the InChIKey of 2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride?
The InChIKey is SSKYLYNHIRUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2.ClH/c1-21(11-24,12-25)23-10-13-5-6-14-15-3-2-4-17-19(22)8-7-16(20(15)17)18(14)9-13;/h2-9,23-25H,10-12H2,1H3;1H.
What are the key properties of 2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride?
2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride has a molecular weight of 390.31 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorofluoranthen-8-yl)methylamino]-2-methylpropane-1,3-diol;hydrochloride is sourced from PubChem (CID 21273707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).