N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine

C17H29NO — CID 2296857

IUPACN-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine
SMILESCCCCNCCCOc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C17H29NO/c1-5-6-8-18-9-7-10-19-17-12-15(4)11-16(13-17)14(2)3/h11-14,18H,5-10H2,1-4H3
InChIKeyBLRSFSLIOLSDSP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.28
Rot. Bonds9

About N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine

N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine (PubChem CID 2296857) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine
PubChem CID2296857
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine
SMILESCCCCNCCCOc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C17H29NO/c1-5-6-8-18-9-7-10-19-17-12-15(4)11-16(13-17)14(2)3/h11-14,18H,5-10H2,1-4H3
InChIKeyBLRSFSLIOLSDSP-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-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

1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol
CID 2978151
(2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol
CID 7375831
3,3-dimethyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63515562
2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine
CID 62597906
2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 63515727
5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63515560
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine
CID 2581106
N-[2-(3,5-dimethoxyphenoxy)ethyl]butan-1-amine
CID 62597582
2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine?
The IUPAC name of N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine (CID 2296857) is N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine.
What is the SMILES notation for N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine?
The canonical SMILES for N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine is CCCCNCCCOc1cc(C)cc(C(C)C)c1.
What is the InChIKey of N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine?
The InChIKey is BLRSFSLIOLSDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-8-18-9-7-10-19-17-12-15(4)11-16(13-17)14(2)3/h11-14,18H,5-10H2,1-4H3.
What are the key properties of N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine?
N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine is sourced from PubChem (CID 2296857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).