2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine

C18H29NO2 — CID 65158401

IUPAC2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(OCCCC2CCCO2)cc1
InChIInChI=1S/C18H29NO2/c1-15(2)13-19-14-16-7-9-18(10-8-16)21-12-4-6-17-5-3-11-20-17/h7-10,15,17,19H,3-6,11-14H2,1-2H3
InChIKeyTWOAZNVDRLGHHA-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.77
Rot. Bonds9

About 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine

2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine (PubChem CID 65158401) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
PubChem CID65158401
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(OCCCC2CCCO2)cc1
InChIInChI=1S/C18H29NO2/c1-15(2)13-19-14-16-7-9-18(10-8-16)21-12-4-6-17-5-3-11-20-17/h7-10,15,17,19H,3-6,11-14H2,1-2H3
InChIKeyTWOAZNVDRLGHHA-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine 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-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158500
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54797689
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 106205797
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164633
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
CID 65163245
2-methyl-N-[[5-(oxolan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79794373
2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine
CID 102608164

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine (CID 65158401) is 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine is CC(C)CNCc1ccc(OCCCC2CCCO2)cc1.
What is the InChIKey of 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine?
The InChIKey is TWOAZNVDRLGHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)13-19-14-16-7-9-18(10-8-16)21-12-4-6-17-5-3-11-20-17/h7-10,15,17,19H,3-6,11-14H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 65158401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).