1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine

C15H24N2O — CID 82159596

IUPAC1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1ccc(C(C)C)cc1CN1CCC(N)C1
InChIInChI=1S/C15H24N2O/c1-11(2)12-4-5-15(18-3)13(8-12)9-17-7-6-14(16)10-17/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3
InChIKeyIXBIXIXJRKXHSD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.35
Rot. Bonds4

About 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine

1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 82159596) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
PubChem CID82159596
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1ccc(C(C)C)cc1CN1CCC(N)C1
InChIInChI=1S/C15H24N2O/c1-11(2)12-4-5-15(18-3)13(8-12)9-17-7-6-14(16)10-17/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3
InChIKeyIXBIXIXJRKXHSD-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
(3S,4R)-4-(hydroxymethyl)-1-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 56887437
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
CID 64597058
1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 102965482
(3S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 115302519
(2S)-1-[1-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperidin-4-yl]-2-methylbutan-1-one
CID 58368973
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
(1S,3R)-7-[(2-methoxy-5-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 72858921
3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62035741
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine (CID 82159596) is 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine is COc1ccc(C(C)C)cc1CN1CCC(N)C1.
What is the InChIKey of 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is IXBIXIXJRKXHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)12-4-5-15(18-3)13(8-12)9-17-7-6-14(16)10-17/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3.
What are the key properties of 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine?
1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 82159596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).