N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine

C15H25NO — CID 62445525

IUPACN-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COCCC(C)C)c1
InChIInChI=1S/C15H25NO/c1-4-16-11-14-6-5-7-15(10-14)12-17-9-8-13(2)3/h5-7,10,13,16H,4,8-9,11-12H2,1-3H3
InChIKeyZYFPVWPWXSRDKS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds8

About N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine

N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine (PubChem CID 62445525) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
PubChem CID62445525
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(COCCC(C)C)c1
InChIInChI=1S/C15H25NO/c1-4-16-11-14-6-5-7-15(10-14)12-17-9-8-13(2)3/h5-7,10,13,16H,4,8-9,11-12H2,1-3H3
InChIKeyZYFPVWPWXSRDKS-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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

N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
CID 62485606
N,N-diethyl-2-[[3-(ethylaminomethyl)phenyl]methoxy]ethanamine
CID 62460949
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
CID 79112977
2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62451172
N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 82831547
N-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
N-[[3-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490215
N-[2-[[3-(ethylaminomethyl)phenyl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740885
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445339

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine (CID 62445525) is N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine is CCNCc1cccc(COCCC(C)C)c1.
What is the InChIKey of N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is ZYFPVWPWXSRDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-16-11-14-6-5-7-15(10-14)12-17-9-8-13(2)3/h5-7,10,13,16H,4,8-9,11-12H2,1-3H3.
What are the key properties of N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine?
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62445525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).