N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine

C18H31NO2 — CID 62457543

IUPACN-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCCOCc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-5-6-11-20-12-13-21-15-17-9-7-16(8-10-17)14-19-18(2,3)4/h7-10,19H,5-6,11-15H2,1-4H3
InChIKeyWZUMMLXQBSXOLR-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.91
Rot. Bonds10

About N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62457543) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62457543
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCCOCc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-5-6-11-20-12-13-21-15-17-9-7-16(8-10-17)14-19-18(2,3)4/h7-10,19H,5-6,11-15H2,1-4H3
InChIKeyWZUMMLXQBSXOLR-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62457147
N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62458634
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 103409048
N-[[3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 63492481
2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine
CID 79670044
N-[[5-(2-butoxyethoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62456393
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106411
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
CID 62451901

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine (CID 62457543) is N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine is CCCCOCCOCc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WZUMMLXQBSXOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-6-11-20-12-13-21-15-17-9-7-16(8-10-17)14-19-18(2,3)4/h7-10,19H,5-6,11-15H2,1-4H3.
What are the key properties of N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62457543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).