N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

C16H25ClN2O — CID 103535772

IUPACN-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOC1CCN(c2ccc(Cl)cc2CNC(C)(C)C)C1
InChIInChI=1S/C16H25ClN2O/c1-16(2,3)18-10-12-9-13(17)5-6-15(12)19-8-7-14(11-19)20-4/h5-6,9,14,18H,7-8,10-11H2,1-4H3
InChIKeySLQJWLQNIJVSQZ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.45
Rot. Bonds4

About N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 103535772) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID103535772
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOC1CCN(c2ccc(Cl)cc2CNC(C)(C)C)C1
InChIInChI=1S/C16H25ClN2O/c1-16(2,3)18-10-12-9-13(17)5-6-15(12)19-8-7-14(11-19)20-4/h5-6,9,14,18H,7-8,10-11H2,1-4H3
InChIKeySLQJWLQNIJVSQZ-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114848126
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
CID 114847855
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114852910
N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114851241
N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114847339
1-[4-chloro-2-(chloromethyl)phenyl]-4-methoxypiperidine
CID 114846387
1-[2-(bromomethyl)-5-chlorophenyl]-3-methoxypyrrolidine
CID 107085598
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851035
N-[[4-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 103535869
N-[[3-fluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058425
1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 114860582
1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 103535772) is N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is COC1CCN(c2ccc(Cl)cc2CNC(C)(C)C)C1.
What is the InChIKey of N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SLQJWLQNIJVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-16(2,3)18-10-12-9-13(17)5-6-15(12)19-8-7-14(11-19)20-4/h5-6,9,14,18H,7-8,10-11H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.84 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103535772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).