(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine

C16H26N2O — CID 116935509

IUPAC(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine
SMILESCOc1ccc(C(C)(C)C)cc1C(N)C1CCNC1
InChIInChI=1S/C16H26N2O/c1-16(2,3)12-5-6-14(19-4)13(9-12)15(17)11-7-8-18-10-11/h5-6,9,11,15,18H,7-8,10,17H2,1-4H3
InChIKeyGFUFIZDQXLNTAW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.60
Rot. Bonds3

About (5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine

(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine (PubChem CID 116935509) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Name(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine
PubChem CID116935509
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine
SMILESCOc1ccc(C(C)(C)C)cc1C(N)C1CCNC1
InChIInChI=1S/C16H26N2O/c1-16(2,3)12-5-6-14(19-4)13(9-12)15(17)11-7-8-18-10-11/h5-6,9,11,15,18H,7-8,10,17H2,1-4H3
InChIKeyGFUFIZDQXLNTAW-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 116935294
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334
(2,5-difluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanamine
CID 116935595
(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314755
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
(2-methoxy-3,5-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935549
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
(3-chloro-6-methoxy-2,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935553
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine?
The IUPAC name of (5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine (CID 116935509) is (5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for (5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine?
The canonical SMILES for (5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine is COc1ccc(C(C)(C)C)cc1C(N)C1CCNC1.
What is the InChIKey of (5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine?
The InChIKey is GFUFIZDQXLNTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)12-5-6-14(19-4)13(9-12)15(17)11-7-8-18-10-11/h5-6,9,11,15,18H,7-8,10,17H2,1-4H3.
What are the key properties of (5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine?
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methoxyphenyl)-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 116935509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).