N-methoxy-1-(2-pentan-3-ylphenyl)methanamine

C13H21NO — CID 117296773

IUPACN-methoxy-1-(2-pentan-3-ylphenyl)methanamine
SMILESCCC(CC)c1ccccc1CNOC
InChIInChI=1S/C13H21NO/c1-4-11(5-2)13-9-7-6-8-12(13)10-14-15-3/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyFMSSFXFWPKKYKL-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.24
Rot. Bonds6

About N-methoxy-1-(2-pentan-3-ylphenyl)methanamine

N-methoxy-1-(2-pentan-3-ylphenyl)methanamine (PubChem CID 117296773) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methoxy-1-(2-pentan-3-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(2-pentan-3-ylphenyl)methanamine
PubChem CID117296773
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methoxy-1-(2-pentan-3-ylphenyl)methanamine
SMILESCCC(CC)c1ccccc1CNOC
InChIInChI=1S/C13H21NO/c1-4-11(5-2)13-9-7-6-8-12(13)10-14-15-3/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyFMSSFXFWPKKYKL-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-(2-propan-2-ylphenyl)methanamine
CID 82600286
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
1-(2-cyclopropylsulfanylphenyl)-N-methoxymethanamine
CID 117299483
(2-pentan-3-ylphenyl)methanesulfonyl chloride
CID 84710322
1-benzyl-2-(1-phenylbutan-2-yl)benzene
CID 173399108
ethane;1-ethyl-2-hexan-3-ylbenzene
CID 165145601
2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
CID 115006023
1-(2-bromo-3-methylphenyl)-N-methoxymethanamine
CID 117331823
1-ethenyl-2-pentan-3-ylbenzene
CID 20542388
N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 117343517
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
N-methoxy-1-[2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 117296323

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2-pentan-3-ylphenyl)methanamine?
The IUPAC name of N-methoxy-1-(2-pentan-3-ylphenyl)methanamine (CID 117296773) is N-methoxy-1-(2-pentan-3-ylphenyl)methanamine.
What is the SMILES notation for N-methoxy-1-(2-pentan-3-ylphenyl)methanamine?
The canonical SMILES for N-methoxy-1-(2-pentan-3-ylphenyl)methanamine is CCC(CC)c1ccccc1CNOC.
What is the InChIKey of N-methoxy-1-(2-pentan-3-ylphenyl)methanamine?
The InChIKey is FMSSFXFWPKKYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(5-2)13-9-7-6-8-12(13)10-14-15-3/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of N-methoxy-1-(2-pentan-3-ylphenyl)methanamine?
N-methoxy-1-(2-pentan-3-ylphenyl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2-pentan-3-ylphenyl)methanamine is sourced from PubChem (CID 117296773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).