N-[(3-butoxyphenyl)methyl]ethanamine

C13H21NO — CID 43278316

IUPACN-[(3-butoxyphenyl)methyl]ethanamine
SMILESCCCCOc1cccc(CNCC)c1
InChIInChI=1S/C13H21NO/c1-3-5-9-15-13-8-6-7-12(10-13)11-14-4-2/h6-8,10,14H,3-5,9,11H2,1-2H3
InChIKeyMZIGCLQWWRACFO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds7

About N-[(3-butoxyphenyl)methyl]ethanamine

N-[(3-butoxyphenyl)methyl]ethanamine (PubChem CID 43278316) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]ethanamine
PubChem CID43278316
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(3-butoxyphenyl)methyl]ethanamine
SMILESCCCCOc1cccc(CNCC)c1
InChIInChI=1S/C13H21NO/c1-3-5-9-15-13-8-6-7-12(10-13)11-14-4-2/h6-8,10,14H,3-5,9,11H2,1-2H3
InChIKeyMZIGCLQWWRACFO-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.97
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-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
4-[[(3-butoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 59230604
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
5-[3-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62227082
1-(4-fluorophenyl)-N-[(3-pentoxyphenyl)methyl]methanamine
CID 54803922
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-butoxyphenyl)methyl]ethanamine (CID 43278316) is N-[(3-butoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]ethanamine is CCCCOc1cccc(CNCC)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]ethanamine?
The InChIKey is MZIGCLQWWRACFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-9-15-13-8-6-7-12(10-13)11-14-4-2/h6-8,10,14H,3-5,9,11H2,1-2H3.
What are the key properties of N-[(3-butoxyphenyl)methyl]ethanamine?
N-[(3-butoxyphenyl)methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43278316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).