5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine

C17H22ClN3 — CID 114925172

IUPAC5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(c1ccccc1)c1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C17H22ClN3/c1-4-21(15-8-6-5-7-9-15)17-10-14(11-19-13(2)3)16(18)12-20-17/h5-10,12-13,19H,4,11H2,1-3H3
InChIKeyGNLRVNZVBJXNOQ-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.39
Rot. Bonds6

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

5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 114925172) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID114925172
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(c1ccccc1)c1cc(CNC(C)C)c(Cl)cn1
InChIInChI=1S/C17H22ClN3/c1-4-21(15-8-6-5-7-9-15)17-10-14(11-19-13(2)3)16(18)12-20-17/h5-10,12-13,19H,4,11H2,1-3H3
InChIKeyGNLRVNZVBJXNOQ-UHFFFAOYSA-N
XLogP4.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-N-(2-methylbutan-2-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926548
5-chloro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114925475
N-[(5-chloro-2-phenylmethoxy-4-pyridinyl)methyl]propan-2-amine
CID 114927584
5-chloro-4-(ethylaminomethyl)-N-methyl-N-phenylpyridin-2-amine
CID 114924976
5-chloro-N,N-bis(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 114926132
2-[[5-chloro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 114927139
5-bromo-N-ethyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281059
6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112859900
N-[[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114924865
N-[[5-chloro-2-(2-methoxyphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928315
5-bromo-N-ethyl-4-methyl-N-phenylpyridin-2-amine
CID 114870215
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 114925172) is 5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine is CCN(c1ccccc1)c1cc(CNC(C)C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is GNLRVNZVBJXNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-21(15-8-6-5-7-9-15)17-10-14(11-19-13(2)3)16(18)12-20-17/h5-10,12-13,19H,4,11H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine?
5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 303.84 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-phenyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 114925172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).