N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline

C15H24N2O — CID 83961015

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCC2CCCN2C)c1
InChIInChI=1S/C15H24N2O/c1-3-10-18-15-8-4-6-13(11-15)16-12-14-7-5-9-17(14)2/h4,6,8,11,14,16H,3,5,7,9-10,12H2,1-2H3
InChIKeyFJTKNAYBRBNYPW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds6

About N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline

N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline (PubChem CID 83961015) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
PubChem CID83961015
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCC2CCCN2C)c1
InChIInChI=1S/C15H24N2O/c1-3-10-18-15-8-4-6-13(11-15)16-12-14-7-5-9-17(14)2/h4,6,8,11,14,16H,3,5,7,9-10,12H2,1-2H3
InChIKeyFJTKNAYBRBNYPW-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659586
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 112721974
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
N-(3-propoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853542
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637941
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline
CID 62658865

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline (CID 83961015) is N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline is CCCOc1cccc(NCC2CCCN2C)c1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline?
The InChIKey is FJTKNAYBRBNYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-10-18-15-8-4-6-13(11-15)16-12-14-7-5-9-17(14)2/h4,6,8,11,14,16H,3,5,7,9-10,12H2,1-2H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline?
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline is sourced from PubChem (CID 83961015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).