5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine

C12H20ClN3 — CID 114925130

IUPAC5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
SMILESCCNCc1cc(N(C)C(C)C)ncc1Cl
InChIInChI=1S/C12H20ClN3/c1-5-14-7-10-6-12(15-8-11(10)13)16(4)9(2)3/h6,8-9,14H,5,7H2,1-4H3
InChIKeyIXDAHNNOURULJL-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.69
Rot. Bonds5

About 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine

5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 114925130) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID114925130
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
SMILESCCNCc1cc(N(C)C(C)C)ncc1Cl
InChIInChI=1S/C12H20ClN3/c1-5-14-7-10-6-12(15-8-11(10)13)16(4)9(2)3/h6,8-9,14H,5,7H2,1-4H3
InChIKeyIXDAHNNOURULJL-UHFFFAOYSA-N
XLogP2.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-methyl-4-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 114925131
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105
5-chloro-4-(ethylaminomethyl)-N-methyl-N-phenylpyridin-2-amine
CID 114924976
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114925592
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 114925750
5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 114925867
N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine
CID 114927663
5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
CID 114925895
5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925419

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine (CID 114925130) is 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine is CCNCc1cc(N(C)C(C)C)ncc1Cl.
What is the InChIKey of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is IXDAHNNOURULJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-5-14-7-10-6-12(15-8-11(10)13)16(4)9(2)3/h6,8-9,14H,5,7H2,1-4H3.
What are the key properties of 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine?
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 114925130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).