N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine

C15H25NO — CID 97179196

IUPACN-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
SMILESCCCCNCc1cc(C)ccc1OCCC
InChIInChI=1S/C15H25NO/c1-4-6-9-16-12-14-11-13(3)7-8-15(14)17-10-5-2/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyAJYBHASCAVWFJN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.67
Rot. Bonds8

About N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine

N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine (PubChem CID 97179196) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
PubChem CID97179196
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
SMILESCCCCNCc1cc(C)ccc1OCCC
InChIInChI=1S/C15H25NO/c1-4-6-9-16-12-14-11-13(3)7-8-15(14)17-10-5-2/h7-8,11,16H,4-6,9-10,12H2,1-3H3
InChIKeyAJYBHASCAVWFJN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 80699310
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 63323300
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63323050
N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
CID 63486581
1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine (CID 97179196) is N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine is CCCCNCc1cc(C)ccc1OCCC.
What is the InChIKey of N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine?
The InChIKey is AJYBHASCAVWFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-9-16-12-14-11-13(3)7-8-15(14)17-10-5-2/h7-8,11,16H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine?
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 97179196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).