3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine

C18H30N2O — CID 83936988

IUPAC3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1cc(OCC(C)C)ccc1C(CCN)N1CCCC1
InChIInChI=1S/C18H30N2O/c1-14(2)13-21-16-6-7-17(15(3)12-16)18(8-9-19)20-10-4-5-11-20/h6-7,12,14,18H,4-5,8-11,13,19H2,1-3H3
InChIKeyYUDYOBQVHOXGNF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.52
Rot. Bonds7

About 3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine

3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 83936988) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID83936988
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1cc(OCC(C)C)ccc1C(CCN)N1CCCC1
InChIInChI=1S/C18H30N2O/c1-14(2)13-21-16-6-7-17(15(3)12-16)18(8-9-19)20-10-4-5-11-20/h6-7,12,14,18H,4-5,8-11,13,19H2,1-3H3
InChIKeyYUDYOBQVHOXGNF-UHFFFAOYSA-N
XLogP3.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83937117
3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine
CID 83936964
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
3-(2-ethoxy-3,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83942051
3-(3-ethoxyphenyl)-3-piperidin-1-ylpropan-1-amine
CID 112509278
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83934065
2-(4-fluoro-2-methylphenyl)-2-piperidin-1-ylethanamine
CID 62136156
3-(2,5-diethylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83920926
[2-methyl-4-(2-methylpropoxy)phenyl]boronic acid
CID 83140010
1-(azepan-1-yl)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 2853018
3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
CID 83958510

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 83936988) is 3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine is Cc1cc(OCC(C)C)ccc1C(CCN)N1CCCC1.
What is the InChIKey of 3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is YUDYOBQVHOXGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)13-21-16-6-7-17(15(3)12-16)18(8-9-19)20-10-4-5-11-20/h6-7,12,14,18H,4-5,8-11,13,19H2,1-3H3.
What are the key properties of 3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine?
3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(2-methylpropoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 83936988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).