N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine

C14H23NO — CID 63323494

IUPACN-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
SMILESCCCCCOc1ccc(C)cc1CNC
InChIInChI=1S/C14H23NO/c1-4-5-6-9-16-14-8-7-12(2)10-13(14)11-15-3/h7-8,10,15H,4-6,9,11H2,1-3H3
InChIKeyZKDCDRUHCBSBLP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.28
Rot. Bonds7

About N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine

N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine (PubChem CID 63323494) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
PubChem CID63323494
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
SMILESCCCCCOc1ccc(C)cc1CNC
InChIInChI=1S/C14H23NO/c1-4-5-6-9-16-14-8-7-12(2)10-13(14)11-15-3/h7-8,10,15H,4-6,9,11H2,1-3H3
InChIKeyZKDCDRUHCBSBLP-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

N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
2-(bromomethyl)-4-methyl-1-nonoxybenzene
CID 63535427
2-(chloromethyl)-1-hexoxy-4-methylbenzene
CID 63535574
1-[(5-methyl-2-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384807
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
1,4-dimethyl-2-pentoxybenzene
CID 59184214
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 63323237
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine (CID 63323494) is N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine is CCCCCOc1ccc(C)cc1CNC.
What is the InChIKey of N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine?
The InChIKey is ZKDCDRUHCBSBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-9-16-14-8-7-12(2)10-13(14)11-15-3/h7-8,10,15H,4-6,9,11H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine?
N-methyl-1-(5-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-(5-methyl-2-pentoxyphenyl)methanamine is sourced from PubChem (CID 63323494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).