3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H19ClFN3 — CID 62295297

IUPAC3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cnc(N(C)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C16H19ClFN3/c1-11(2)19-9-12-8-15(17)16(20-10-12)21(3)14-6-4-13(18)5-7-14/h4-8,10-11,19H,9H2,1-3H3
InChIKeyBHIQDDCPBUUHMN-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.14
Rot. Bonds5

About 3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62295297) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62295297
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCC(C)NCc1cnc(N(C)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C16H19ClFN3/c1-11(2)19-9-12-8-15(17)16(20-10-12)21(3)14-6-4-13(18)5-7-14/h4-8,10-11,19H,9H2,1-3H3
InChIKeyBHIQDDCPBUUHMN-UHFFFAOYSA-N
XLogP4.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62281089
3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288855
3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62281535
3-chloro-N-methyl-N-(4-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287805
N-butyl-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62285650
3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62294086
3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288457
N-[[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 82005702
3-chloro-5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 62293024
5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine
CID 80635720
N-[[5-chloro-6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 64854100
N-(4-fluorophenyl)-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62293187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62295297) is 3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is CC(C)NCc1cnc(N(C)c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is BHIQDDCPBUUHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-11(2)19-9-12-8-15(17)16(20-10-12)21(3)14-6-4-13(18)5-7-14/h4-8,10-11,19H,9H2,1-3H3.
What are the key properties of 3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 307.80 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62295297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).