2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine

C19H33NO — CID 105349722

IUPAC2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COCCCC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-12-20-14-17(4)19-10-8-18(9-11-19)15-21-13-6-7-16(2)3/h8-11,16-17,20H,5-7,12-15H2,1-4H3
InChIKeyJXIVHMKBRICCRS-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.74
Rot. Bonds11

About 2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine

2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine (PubChem CID 105349722) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
PubChem CID105349722
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COCCCC(C)C)cc1
InChIInChI=1S/C19H33NO/c1-5-12-20-14-17(4)19-10-8-18(9-11-19)15-21-13-6-7-16(2)3/h8-11,16-17,20H,5-7,12-15H2,1-4H3
InChIKeyJXIVHMKBRICCRS-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-[4-(4-methylpentoxymethyl)phenyl]propan-1-amine
CID 105349727
2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349096
2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349742
2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 102608263
N-propyl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351075
N-methyl-2-[4-(pent-4-enoxymethyl)phenyl]propan-1-amine
CID 105351103
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine
CID 105350650
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
CID 105347096

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine (CID 105349722) is 2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine is CCCNCC(C)c1ccc(COCCCC(C)C)cc1.
What is the InChIKey of 2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is JXIVHMKBRICCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-12-20-14-17(4)19-10-8-18(9-11-19)15-21-13-6-7-16(2)3/h8-11,16-17,20H,5-7,12-15H2,1-4H3.
What are the key properties of 2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine?
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.74, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 105349722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).