5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine

C19H26ClN3 — CID 11361729

IUPAC5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(Nc2cccc(Cl)c2)ncc1CNC(C)(C)C
InChIInChI=1S/C19H26ClN3/c1-13(2)17-10-18(23-16-8-6-7-15(20)9-16)21-11-14(17)12-22-19(3,4)5/h6-11,13,22H,12H2,1-5H3,(H,21,23)
InChIKeyUJNFERNPUPAMHU-UHFFFAOYSA-N
MW331.89 g/mol
LogP5.49
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine

5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine (PubChem CID 11361729) has the molecular formula C19H26ClN3 and a molecular weight of 331.89 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine
PubChem CID11361729
Molecular FormulaC19H26ClN3
Molecular Weight331.89 g/mol
Exact Mass331.18
IUPAC Name5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(Nc2cccc(Cl)c2)ncc1CNC(C)(C)C
InChIInChI=1S/C19H26ClN3/c1-13(2)17-10-18(23-16-8-6-7-15(20)9-16)21-11-14(17)12-22-19(3,4)5/h6-11,13,22H,12H2,1-5H3,(H,21,23)
InChIKeyUJNFERNPUPAMHU-UHFFFAOYSA-N
XLogP5.49
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.89
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis(N-(3-chlorophenyl)-5-[(cyclopropylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine);formic acid
CID 11982256
6-(3-chloroanilino)-N-(2,2-dimethylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570166
6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570165
N-(3,4-dichlorophenyl)-5-[(2-methylpropylamino)methyl]-4-propan-2-ylpyridin-2-amine
CID 11418482
6-(3-chloroanilino)-N-(2-ethylbutyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570167
5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 11304398
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-4-propan-2-ylpyridine-3-carboxamide
CID 10047143
6-(3-chloroanilino)-N-hexan-3-yl-4-propan-2-ylpyridine-3-carboxamide
CID 142877822
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
N-tert-butyl-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109287259
N-[[2-(3-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83187072
4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859904

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine (CID 11361729) is 5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine is CC(C)c1cc(Nc2cccc(Cl)c2)ncc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine?
The InChIKey is UJNFERNPUPAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3/c1-13(2)17-10-18(23-16-8-6-7-15(20)9-16)21-11-14(17)12-22-19(3,4)5/h6-11,13,22H,12H2,1-5H3,(H,21,23).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine?
5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine has a molecular weight of 331.89 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(3-chlorophenyl)-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 11361729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).