N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine

C17H25N3O — CID 62919527

IUPACN-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCOc1cccc(C(NC)c2nccn2CCC)c1
InChIInChI=1S/C17H25N3O/c1-4-10-20-11-9-19-17(20)16(18-3)14-7-6-8-15(13-14)21-12-5-2/h6-9,11,13,16,18H,4-5,10,12H2,1-3H3
InChIKeyFJUOAADBTGTFCT-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.39
Rot. Bonds8

About N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine

N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine (PubChem CID 62919527) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine
PubChem CID62919527
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine
SMILESCCCOc1cccc(C(NC)c2nccn2CCC)c1
InChIInChI=1S/C17H25N3O/c1-4-10-20-11-9-19-17(20)16(18-3)14-7-6-8-15(13-14)21-12-5-2/h6-9,11,13,16,18H,4-5,10,12H2,1-3H3
InChIKeyFJUOAADBTGTFCT-UHFFFAOYSA-N
XLogP3.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-propylimidazol-2-yl)-1-pyridin-3-ylmethanamine
CID 61318146
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962
N-[(3-fluorophenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61317740
(3-methoxyphenyl)-(1-propylimidazol-2-yl)methanol
CID 61317073
N-methyl-1-(4-methylsulfanylphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 79206742
[(3-bromophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105197993
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316127
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine (CID 62919527) is N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine is CCCOc1cccc(C(NC)c2nccn2CCC)c1.
What is the InChIKey of N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine?
The InChIKey is FJUOAADBTGTFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-10-20-11-9-19-17(20)16(18-3)14-7-6-8-15(13-14)21-12-5-2/h6-9,11,13,16,18H,4-5,10,12H2,1-3H3.
What are the key properties of N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine?
N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propoxyphenyl)-1-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 62919527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).