N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine

C15H24N2O — CID 155178982

IUPACN-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine
SMILESCOc1cccc(CC(C)CNN2CCCC2)c1
InChIInChI=1S/C15H24N2O/c1-13(12-16-17-8-3-4-9-17)10-14-6-5-7-15(11-14)18-2/h5-7,11,13,16H,3-4,8-10,12H2,1-2H3
InChIKeyOCMQNKQVVMSEBZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.47
Rot. Bonds6

About N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine

N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine (PubChem CID 155178982) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine
PubChem CID155178982
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine
SMILESCOc1cccc(CC(C)CNN2CCCC2)c1
InChIInChI=1S/C15H24N2O/c1-13(12-16-17-8-3-4-9-17)10-14-6-5-7-15(11-14)18-2/h5-7,11,13,16H,3-4,8-10,12H2,1-2H3
InChIKeyOCMQNKQVVMSEBZ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60956731
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82087126
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 140551869
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
2-(3-methoxyphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
CID 79060564
3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79057103
5-methoxy-1-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 105133972

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine?
The IUPAC name of N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine (CID 155178982) is N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine?
The canonical SMILES for N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine is COc1cccc(CC(C)CNN2CCCC2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine?
The InChIKey is OCMQNKQVVMSEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(12-16-17-8-3-4-9-17)10-14-6-5-7-15(11-14)18-2/h5-7,11,13,16H,3-4,8-10,12H2,1-2H3.
What are the key properties of N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine?
N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-2-methylpropyl]pyrrolidin-1-amine is sourced from PubChem (CID 155178982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).