N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine

C17H28N2O — CID 84750292

IUPACN-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCCC2)c(OC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-13(2)18-12-15-7-8-16(19-9-5-6-10-19)17(11-15)20-14(3)4/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3
InChIKeySUEXOBDBXPTWSS-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.57
Rot. Bonds6

About N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine

N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine (PubChem CID 84750292) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
PubChem CID84750292
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCCC2)c(OC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-13(2)18-12-15-7-8-16(19-9-5-6-10-19)17(11-15)20-14(3)4/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3
InChIKeySUEXOBDBXPTWSS-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 84750601
N-methyl-1-(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methanamine
CID 84750300
N-[[4-(azepan-1-yl)-3-propan-2-yloxyphenyl]methyl]prop-2-en-1-amine
CID 84750022
N-[(4-piperazin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 84750629
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
1-[2-methoxy-4-[(propan-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 84754741
N-[[4-(1,4-diazepan-1-yl)-3-ethoxyphenyl]methyl]propan-2-amine
CID 84749780
N-[[4-(1,4-diazepan-1-yl)-3-propan-2-yloxyphenyl]methyl]cyclopropanamine
CID 84750655
N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 84750548
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
N-[[4-(2-methylpiperidin-1-yl)-3-propan-2-yloxyphenyl]methyl]propan-1-amine
CID 84750313
1-[2-propan-2-yloxy-4-[(prop-2-enylamino)methyl]phenyl]piperidin-4-ol
CID 84750679

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine (CID 84750292) is N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine is CC(C)NCc1ccc(N2CCCC2)c(OC(C)C)c1.
What is the InChIKey of N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
The InChIKey is SUEXOBDBXPTWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)18-12-15-7-8-16(19-9-5-6-10-19)17(11-15)20-14(3)4/h7-8,11,13-14,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine?
N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 84750292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).