N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride

C17H19ClF2N2 — CID 120849308

IUPACN-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride
SMILESCN(Cc1cc(F)cc(F)c1)Cc1cccc2c1NCC2.Cl
InChIInChI=1S/C17H18F2N2.ClH/c1-21(10-12-7-15(18)9-16(19)8-12)11-14-4-2-3-13-5-6-20-17(13)14;/h2-4,7-9,20H,5-6,10-11H2,1H3;1H
InChIKeyISOUJICJJCKZGQ-UHFFFAOYSA-N
MW324.80 g/mol
LogP3.99
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride

N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride (PubChem CID 120849308) has the molecular formula C17H19ClF2N2 and a molecular weight of 324.80 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride
PubChem CID120849308
Molecular FormulaC17H19ClF2N2
Molecular Weight324.80 g/mol
Exact Mass324.12
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride
SMILESCN(Cc1cc(F)cc(F)c1)Cc1cccc2c1NCC2.Cl
InChIInChI=1S/C17H18F2N2.ClH/c1-21(10-12-7-15(18)9-16(19)8-12)11-14-4-2-3-13-5-6-20-17(13)14;/h2-4,7-9,20H,5-6,10-11H2,1H3;1H
InChIKeyISOUJICJJCKZGQ-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.80
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(3,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63968465
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpropan-2-amine
CID 114326986
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,3,5-trimethylaniline
CID 114327187
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,2,2-trimethylcyclopropan-1-amine
CID 120848868
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N-ethyl-2,2-difluoroethanamine;hydrochloride
CID 120849154
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 114327303
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine;hydrochloride
CID 120848989
N-(2,6-dichlorophenyl)-2-[2,3-dihydro-1H-indol-7-ylmethyl(methyl)amino]acetamide;hydrochloride
CID 120847429
methyl 2-[2,3-dihydro-1H-indol-7-ylmethyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate;hydrochloride
CID 120848006
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N,2-dimethyloxolan-3-amine
CID 82745755
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-ethyl-N,2-dimethylpiperidin-4-amine
CID 120848990

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride (CID 120849308) is N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride is CN(Cc1cc(F)cc(F)c1)Cc1cccc2c1NCC2.Cl.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is ISOUJICJJCKZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2.ClH/c1-21(10-12-7-15(18)9-16(19)8-12)11-14-4-2-3-13-5-6-20-17(13)14;/h2-4,7-9,20H,5-6,10-11H2,1H3;1H.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride?
N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 324.80 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-indol-7-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 120849308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).