[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone

C15H22N2O2 — CID 62918972

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCC(CN)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11(2)19-14-5-3-4-13(8-14)15(18)17-7-6-12(9-16)10-17/h3-5,8,11-12H,6-7,9-10,16H2,1-2H3
InChIKeyLSEZLYAZYQBZQL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds4

About [3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone (PubChem CID 62918972) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
PubChem CID62918972
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCC(CN)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11(2)19-14-5-3-4-13(8-14)15(18)17-7-6-12(9-16)10-17/h3-5,8,11-12H,6-7,9-10,16H2,1-2H3
InChIKeyLSEZLYAZYQBZQL-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(3-phenoxyphenyl)methanone
CID 126782744
[4-(chloromethyl)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 63397763
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(3-methoxypropoxy)phenyl]methanone
CID 119484172
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 124611387
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
[4-(ethylamino)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62919962
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 114802085
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119184827
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone
CID 124611616
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(1-phenylethyl)benzenesulfonamide
CID 119485029

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone (CID 62918972) is [3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)N2CCC(CN)C2)c1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is LSEZLYAZYQBZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)19-14-5-3-4-13(8-14)15(18)17-7-6-12(9-16)10-17/h3-5,8,11-12H,6-7,9-10,16H2,1-2H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 62918972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).