[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone

C23H30N2O2 — CID 119483396

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCC(CN)C3)cc2)cc1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)20-8-10-21(11-9-20)27-16-17-4-6-19(7-5-17)22(26)25-13-12-18(14-24)15-25/h4-11,18H,12-16,24H2,1-3H3
InChIKeySYCIHVDGHLKZKA-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.98
Rot. Bonds5

About [3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone

[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone (PubChem CID 119483396) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone
PubChem CID119483396
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCC(CN)C3)cc2)cc1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)20-8-10-21(11-9-20)27-16-17-4-6-19(7-5-17)22(26)25-13-12-18(14-24)15-25/h4-11,18H,12-16,24H2,1-3H3
InChIKeySYCIHVDGHLKZKA-UHFFFAOYSA-N
XLogP3.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone with MolForge

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Related Compounds

[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124611915
[3-(aminomethyl)pyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119486348
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]phenyl]methanone
CID 171784172
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119483399
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone;hydrochloride
CID 119486917
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119483346

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone (CID 119483396) is [3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone is CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCC(CN)C3)cc2)cc1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone?
The InChIKey is SYCIHVDGHLKZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2,3)20-8-10-21(11-9-20)27-16-17-4-6-19(7-5-17)22(26)25-13-12-18(14-24)15-25/h4-11,18H,12-16,24H2,1-3H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.98, 5 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]-[4-[(4-tert-butylphenoxy)methyl]phenyl]methanone is sourced from PubChem (CID 119483396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).