N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine

C16H27NO2 — CID 107890766

IUPACN-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(OC(C)CCC)c1
InChIInChI=1S/C16H27NO2/c1-5-7-13(3)19-16-11-14(12-17-10-6-2)8-9-15(16)18-4/h8-9,11,13,17H,5-7,10,12H2,1-4H3
InChIKeyDXUZBHYYDPOXNR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.76
Rot. Bonds9

About N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine

N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine (PubChem CID 107890766) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
PubChem CID107890766
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(OC(C)CCC)c1
InChIInChI=1S/C16H27NO2/c1-5-7-13(3)19-16-11-14(12-17-10-6-2)8-9-15(16)18-4/h8-9,11,13,17H,5-7,10,12H2,1-4H3
InChIKeyDXUZBHYYDPOXNR-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013330
4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene
CID 107896132
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278792
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43278795
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107890983
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 60883199
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013308
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
CID 28512615
2-[2-methoxy-4-(propylaminomethyl)phenoxy]butanamide
CID 62899820

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine (CID 107890766) is N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine is CCCNCc1ccc(OC)c(OC(C)CCC)c1.
What is the InChIKey of N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The InChIKey is DXUZBHYYDPOXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-7-13(3)19-16-11-14(12-17-10-6-2)8-9-15(16)18-4/h8-9,11,13,17H,5-7,10,12H2,1-4H3.
What are the key properties of N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine?
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107890766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).