N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine

C15H25NO — CID 113223004

IUPACN-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCCC(C)C
InChIInChI=1S/C15H25NO/c1-4-16-12-14-9-5-6-10-15(14)17-11-7-8-13(2)3/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3
InChIKeyAYTCQLQSJOSIGH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.61
Rot. Bonds8

About N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine

N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine (PubChem CID 113223004) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
PubChem CID113223004
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCCC(C)C
InChIInChI=1S/C15H25NO/c1-4-16-12-14-9-5-6-10-15(14)17-11-7-8-13(2)3/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3
InChIKeyAYTCQLQSJOSIGH-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.61
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-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 55073215
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylpropan-1-amine
CID 62420920
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328
N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
CID 29300527
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
1-(chloromethyl)-2-(4-methylpentoxy)benzene
CID 29004036
N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 92927976
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine (CID 113223004) is N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine is CCNCc1ccccc1OCCCC(C)C.
What is the InChIKey of N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine?
The InChIKey is AYTCQLQSJOSIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-16-12-14-9-5-6-10-15(14)17-11-7-8-13(2)3/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine?
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 113223004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).