N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine

C17H29NO2 — CID 2923118

IUPACN-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
SMILESCCC(C)c1ccccc1OCCCNCCCOC
InChIInChI=1S/C17H29NO2/c1-4-15(2)16-9-5-6-10-17(16)20-14-8-12-18-11-7-13-19-3/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3
InChIKeyDHSLGNDYQVIOTL-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.60
Rot. Bonds11

About N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine

N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine (PubChem CID 2923118) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
PubChem CID2923118
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine
SMILESCCC(C)c1ccccc1OCCCNCCCOC
InChIInChI=1S/C17H29NO2/c1-4-15(2)16-9-5-6-10-17(16)20-14-8-12-18-11-7-13-19-3/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3
InChIKeyDHSLGNDYQVIOTL-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-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

N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
N-[2-(2-butan-2-ylphenoxy)ethyl]prop-2-en-1-amine
CID 62572475
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-butoxyaniline
CID 54801693
2-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]ethyl-(3-methoxypropyl)azanium
CID 7381522
N-[2-(2-butan-2-ylphenoxy)ethyl]-2-ethoxyaniline
CID 54798092
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine
CID 63498593
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
2-(2-butan-2-ylphenoxy)-N-(furan-3-ylmethyl)ethanamine
CID 62572477
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine (CID 2923118) is N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine is CCC(C)c1ccccc1OCCCNCCCOC.
What is the InChIKey of N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine?
The InChIKey is DHSLGNDYQVIOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-15(2)16-9-5-6-10-17(16)20-14-8-12-18-11-7-13-19-3/h5-6,9-10,15,18H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine?
N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-butan-2-ylphenoxy)propyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 2923118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).