1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine

C18H16Cl2N2 — CID 112809377

IUPAC1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)Cc1cccc2cccnc12
InChIInChI=1S/C18H16Cl2N2/c1-22(11-13-7-8-16(19)17(20)10-13)12-15-5-2-4-14-6-3-9-21-18(14)15/h2-10H,11-12H2,1H3
InChIKeyDUBGZGVMBQUPMX-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.17
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine

1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine (PubChem CID 112809377) has the molecular formula C18H16Cl2N2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine
PubChem CID112809377
Molecular FormulaC18H16Cl2N2
Molecular Weight331.25 g/mol
Exact Mass330.07
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)Cc1cccc2cccnc12
InChIInChI=1S/C18H16Cl2N2/c1-22(11-13-7-8-16(19)17(20)10-13)12-15-5-2-4-14-6-3-9-21-18(14)15/h2-10H,11-12H2,1H3
InChIKeyDUBGZGVMBQUPMX-UHFFFAOYSA-N
XLogP5.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-methyl-N-(quinolin-8-ylmethyl)methanamine
CID 55628162
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
2-chloro-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)propan-1-amine
CID 55184038
8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
CID 63536066
2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
CID 65148875
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine
CID 71880673
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine (CID 112809377) is 1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine is CN(Cc1ccc(Cl)c(Cl)c1)Cc1cccc2cccnc12.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine?
The InChIKey is DUBGZGVMBQUPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2/c1-22(11-13-7-8-16(19)17(20)10-13)12-15-5-2-4-14-6-3-9-21-18(14)15/h2-10H,11-12H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine?
1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine has a molecular weight of 331.25 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-N-(quinolin-8-ylmethyl)methanamine is sourced from PubChem (CID 112809377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).