N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine

C18H30N2O — CID 63219762

IUPACN-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(CN2CCCC2(C)C)c1
InChIInChI=1S/C18H30N2O/c1-5-10-19-13-15-7-8-17(21-4)16(12-15)14-20-11-6-9-18(20,2)3/h7-8,12,19H,5-6,9-11,13-14H2,1-4H3
InChIKeyJFVKFIDJYPQBLR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.57
Rot. Bonds7

About N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine

N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine (PubChem CID 63219762) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine
PubChem CID63219762
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(CN2CCCC2(C)C)c1
InChIInChI=1S/C18H30N2O/c1-5-10-19-13-15-7-8-17(21-4)16(12-15)14-20-11-6-9-18(20,2)3/h7-8,12,19H,5-6,9-11,13-14H2,1-4H3
InChIKeyJFVKFIDJYPQBLR-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 63219760
N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62017214
1-[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 63160456
2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
CID 62850131
N-[[3-(butoxymethyl)-4-methoxyphenyl]methyl]propan-1-amine
CID 62017264
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
N-[[4-methoxy-3-(propylsulfonylmethyl)phenyl]methyl]propan-1-amine
CID 64647084
N-[[4-methoxy-3-(phenoxymethyl)phenyl]methyl]propan-1-amine
CID 62016883
N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 60881136
N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62019466
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine (CID 63219762) is N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine is CCCNCc1ccc(OC)c(CN2CCCC2(C)C)c1.
What is the InChIKey of N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine?
The InChIKey is JFVKFIDJYPQBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-10-19-13-15-7-8-17(21-4)16(12-15)14-20-11-6-9-18(20,2)3/h7-8,12,19H,5-6,9-11,13-14H2,1-4H3.
What are the key properties of N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine?
N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine is sourced from PubChem (CID 63219762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).