4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine

C15H25NO — CID 62452888

IUPAC4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCc1cccc(OC(C)CCCNC(C)C)c1
InChIInChI=1S/C15H25NO/c1-12(2)16-10-6-8-14(4)17-15-9-5-7-13(3)11-15/h5,7,9,11-12,14,16H,6,8,10H2,1-4H3
InChIKeyFMZHPDQHFUIUIY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds7

About 4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine

4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine (PubChem CID 62452888) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine
PubChem CID62452888
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine
SMILESCc1cccc(OC(C)CCCNC(C)C)c1
InChIInChI=1S/C15H25NO/c1-12(2)16-10-6-8-14(4)17-15-9-5-7-13(3)11-15/h5,7,9,11-12,14,16H,6,8,10H2,1-4H3
InChIKeyFMZHPDQHFUIUIY-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
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

1-hexan-2-yloxy-3-methylbenzene
CID 58153502
3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 114999658
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 62452895
4-(1,3-benzodioxol-5-yloxy)-N-propan-2-ylpentan-1-amine
CID 62451797
4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine
CID 62453415
N-[4-(3-bromophenoxy)pentyl]cyclopropanamine
CID 55076658
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
4-(3-tert-butylphenoxy)-N-propylpentan-1-amine
CID 63496113
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
2,3-dimethyl-N-[2-(3-methylphenoxy)propyl]aniline
CID 54797800

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine (CID 62452888) is 4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine is Cc1cccc(OC(C)CCCNC(C)C)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine?
The InChIKey is FMZHPDQHFUIUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)16-10-6-8-14(4)17-15-9-5-7-13(3)11-15/h5,7,9,11-12,14,16H,6,8,10H2,1-4H3.
What are the key properties of 4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine?
4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62452888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).