N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine

C17H29NO3 — CID 103409048

IUPACN-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCCOc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-17(2,3)18-14-15-6-8-16(9-7-15)21-11-5-10-20-13-12-19-4/h6-9,18H,5,10-14H2,1-4H3
InChIKeyIXIMCSFKKHUDAP-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.01
Rot. Bonds10

About N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine

N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 103409048) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID103409048
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCOCCOCCCOc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C17H29NO3/c1-17(2,3)18-14-15-6-8-16(9-7-15)21-11-5-10-20-13-12-19-4/h6-9,18H,5,10-14H2,1-4H3
InChIKeyIXIMCSFKKHUDAP-UHFFFAOYSA-N
XLogP3.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
N-[[4-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106411
N-[[4-(2-butoxyethoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62457543
N-[[4-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62441857
5-[4-[(tert-butylamino)methyl]phenoxy]pentan-1-ol
CID 63062040
N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 103411288
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 103401859
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103180821
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine (CID 103409048) is N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine is COCCOCCCOc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is IXIMCSFKKHUDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-17(2,3)18-14-15-6-8-16(9-7-15)21-11-5-10-20-13-12-19-4/h6-9,18H,5,10-14H2,1-4H3.
What are the key properties of N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103409048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).