4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine

C17H21ClN2O — CID 105067487

IUPAC4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine
SMILESCOc1ccccc1CC(C)N(C)c1cnccc1CCl
InChIInChI=1S/C17H21ClN2O/c1-13(10-14-6-4-5-7-17(14)21-3)20(2)16-12-19-9-8-15(16)11-18/h4-9,12-13H,10-11H2,1-3H3
InChIKeyZGSYMJDDIOSKKO-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.90
Rot. Bonds6

About 4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine

4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine (PubChem CID 105067487) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine
PubChem CID105067487
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine
SMILESCOc1ccccc1CC(C)N(C)c1cnccc1CCl
InChIInChI=1S/C17H21ClN2O/c1-13(10-14-6-4-5-7-17(14)21-3)20(2)16-12-19-9-8-15(16)11-18/h4-9,12-13H,10-11H2,1-3H3
InChIKeyZGSYMJDDIOSKKO-UHFFFAOYSA-N
XLogP3.90
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
CID 65485063
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile
CID 65488782
3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
CID 66048175
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methylpyrazine-2,5-diamine
CID 80653405
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylbut-2-en-1-amine
CID 77070468
4-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,2-diamine
CID 66080150
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile
CID 80505836
4-(chloromethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 105067315
1-(dimethylamino)-3-(2-methoxyphenyl)propan-2-ol
CID 79088057
4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 105067390
2-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,4-diamine
CID 66092748
2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine
CID 65487789

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine (CID 105067487) is 4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine is COc1ccccc1CC(C)N(C)c1cnccc1CCl.
What is the InChIKey of 4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine?
The InChIKey is ZGSYMJDDIOSKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-13(10-14-6-4-5-7-17(14)21-3)20(2)16-12-19-9-8-15(16)11-18/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine?
4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine has a molecular weight of 304.82 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine is sourced from PubChem (CID 105067487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).