1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine

C16H27NO — CID 43276625

IUPAC1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCCCCCCOc1c(C)cc(CNC)cc1C
InChIInChI=1S/C16H27NO/c1-5-6-7-8-9-18-16-13(2)10-15(12-17-4)11-14(16)3/h10-11,17H,5-9,12H2,1-4H3
InChIKeyMPRPHVIDXGJJAP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.98
Rot. Bonds8

About 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine

1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 43276625) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID43276625
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
SMILESCCCCCCOc1c(C)cc(CNC)cc1C
InChIInChI=1S/C16H27NO/c1-5-6-7-8-9-18-16-13(2)10-15(12-17-4)11-14(16)3/h10-11,17H,5-9,12H2,1-4H3
InChIKeyMPRPHVIDXGJJAP-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethoxybenzylamine
CID 123465
(4-Ethoxyphenyl)methanamine
CID 808423
1-(4-methoxyphenyl)-N-methylmethanamine
CID 485407
2-Methoxy-N-methylbenzylamine
CID 522302
[3-(3-Methyl-4-octyloxy-benzylamino)-propyl]-phosphonic acid
CID 10150372
[3-(3,5-Dimethyl-4-octyloxy-benzylamino)-propyl]-phosphonic acid
CID 10309462
N-(4-butoxybenzyl)formamide
CID 137313
N-{[4-(Pentyloxy)phenyl]methyl}formamide
CID 44371284
2,3-Dihydro-1-benzofuran-5-ylmethanamine
CID 2735367
Bis(4-methoxybenzyl)amine
CID 714952
Benzyl[(4-methoxyphenyl)methyl]amine
CID 738564
1-[(4-Ethoxyphenyl)methyl]piperazine
CID 796533

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine (CID 43276625) is 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine is CCCCCCOc1c(C)cc(CNC)cc1C.
What is the InChIKey of 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is MPRPHVIDXGJJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-7-8-9-18-16-13(2)10-15(12-17-4)11-14(16)3/h10-11,17H,5-9,12H2,1-4H3.
What are the key properties of 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine?
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43276625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).