1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine

C15H25NO2 — CID 62457147

IUPAC1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
SMILESCCCCOCCOCc1ccc(CNC)cc1
InChIInChI=1S/C15H25NO2/c1-3-4-9-17-10-11-18-13-15-7-5-14(6-8-15)12-16-2/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyIVXPYYAEHWFAPR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.74
Rot. Bonds10

About 1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine

1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine (PubChem CID 62457147) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
PubChem CID62457147
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
SMILESCCCCOCCOCc1ccc(CNC)cc1
InChIInChI=1S/C15H25NO2/c1-3-4-9-17-10-11-18-13-15-7-5-14(6-8-15)12-16-2/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyIVXPYYAEHWFAPR-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(2-butoxyethoxymethyl)phenyl]-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-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
CID 62451901
N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62457543
N-methyl-1-[4-(pent-4-enoxymethyl)phenyl]methanamine
CID 79114272
1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62455461
N-methyl-2-[4-(2-propoxyethoxymethyl)phenyl]ethanamine
CID 105350948
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
butoxymethylbenzene;ethane
CID 145341806
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine (CID 62457147) is 1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine is CCCCOCCOCc1ccc(CNC)cc1.
What is the InChIKey of 1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine?
The InChIKey is IVXPYYAEHWFAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-4-9-17-10-11-18-13-15-7-5-14(6-8-15)12-16-2/h5-8,16H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine?
1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62457147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).