N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine

C17H28N2O — CID 62580916

IUPACN-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CN2CCCC2CNC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-12-15-6-5-11-19(15)13-14-7-9-16(20-4)10-8-14/h7-10,15,18H,5-6,11-13H2,1-4H3
InChIKeyYGCMDPWAVWYQPW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds5

About N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62580916) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62580916
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(CN2CCCC2CNC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-17(2,3)18-12-15-6-5-11-19(15)13-14-7-9-16(20-4)10-8-14/h7-10,15,18H,5-6,11-13H2,1-4H3
InChIKeyYGCMDPWAVWYQPW-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65322729
2-methyl-N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 63528363
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 102877016
1-[1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115315996
N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581633
N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62439339
N-[[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 55092364
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813
1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]pyrrolidine
CID 102449960

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine (CID 62580916) is N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine is COc1ccc(CN2CCCC2CNC(C)(C)C)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YGCMDPWAVWYQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)18-12-15-6-5-11-19(15)13-14-7-9-16(20-4)10-8-14/h7-10,15,18H,5-6,11-13H2,1-4H3.
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62580916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).