1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol

C16H26N2O — CID 117117108

IUPAC1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol
SMILESCN1CC(CN)CC1c1cccc(CC(C)(C)O)c1
InChIInChI=1S/C16H26N2O/c1-16(2,19)9-12-5-4-6-14(7-12)15-8-13(10-17)11-18(15)3/h4-7,13,15,19H,8-11,17H2,1-3H3
InChIKeyGFGYTPFZFKOZJD-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.95
Rot. Bonds4

About 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol

1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol (PubChem CID 117117108) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol
PubChem CID117117108
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol
SMILESCN1CC(CN)CC1c1cccc(CC(C)(C)O)c1
InChIInChI=1S/C16H26N2O/c1-16(2,19)9-12-5-4-6-14(7-12)15-8-13(10-17)11-18(15)3/h4-7,13,15,19H,8-11,17H2,1-3H3
InChIKeyGFGYTPFZFKOZJD-UHFFFAOYSA-N
XLogP1.95
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117341076
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
[5-(3-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434115
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]ethane-1,2-diol
CID 117379648
[5-(3-ethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341070
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-1-methylurea
CID 117410952
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
[1-methyl-5-[3-(2-methylimidazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine
CID 117429401
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one
CID 117438738
[5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117477778
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol (CID 117117108) is 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol is CN1CC(CN)CC1c1cccc(CC(C)(C)O)c1.
What is the InChIKey of 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol?
The InChIKey is GFGYTPFZFKOZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,19)9-12-5-4-6-14(7-12)15-8-13(10-17)11-18(15)3/h4-7,13,15,19H,8-11,17H2,1-3H3.
What are the key properties of 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol?
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 117117108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).