N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine

C14H23NO — CID 112608352

IUPACN-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
SMILESCCCCCOc1c(C)cccc1CNC
InChIInChI=1S/C14H23NO/c1-4-5-6-10-16-14-12(2)8-7-9-13(14)11-15-3/h7-9,15H,4-6,10-11H2,1-3H3
InChIKeyLPRCTQCINGMUNG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.28
Rot. Bonds7

About N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine

N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine (PubChem CID 112608352) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
PubChem CID112608352
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
SMILESCCCCCOc1c(C)cccc1CNC
InChIInChI=1S/C14H23NO/c1-4-5-6-10-16-14-12(2)8-7-9-13(14)11-15-3/h7-9,15H,4-6,10-11H2,1-3H3
InChIKeyLPRCTQCINGMUNG-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.28
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-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
1-[2-(4,4-dimethylpentoxy)-3-methylphenyl]-N-methylmethanamine
CID 114209330
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
2-decoxy-1,3-dimethylbenzene
CID 83057478
(2-decoxy-3-methylphenyl)methanol
CID 115956202
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
1-(bromomethyl)-2-hexoxy-3-methylbenzene
CID 112614137
1-(bromomethyl)-3-methyl-2-octoxybenzene
CID 112614072
N,N-dimethyl-4-[2-methyl-6-(methylaminomethyl)phenoxy]butanamide
CID 112608394
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
CID 112608438
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine (CID 112608352) is N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine is CCCCCOc1c(C)cccc1CNC.
What is the InChIKey of N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine?
The InChIKey is LPRCTQCINGMUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-10-16-14-12(2)8-7-9-13(14)11-15-3/h7-9,15H,4-6,10-11H2,1-3H3.
What are the key properties of N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine?
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine is sourced from PubChem (CID 112608352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).