N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine

C18H31NO2 — CID 2276631

IUPACN-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine
SMILESCCCCNCCOCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H31NO2/c1-5-6-9-19-10-11-20-12-13-21-18-14-17(15(2)3)8-7-16(18)4/h7-8,14-15,19H,5-6,9-13H2,1-4H3
InChIKeyNNMWXKQNKSEQPU-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.90
Rot. Bonds11

About N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine

N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine (PubChem CID 2276631) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine
PubChem CID2276631
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine
SMILESCCCCNCCOCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H31NO2/c1-5-6-9-19-10-11-20-12-13-21-18-14-17(15(2)3)8-7-16(18)4/h7-8,14-15,19H,5-6,9-13H2,1-4H3
InChIKeyNNMWXKQNKSEQPU-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.90
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

N'-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276634
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine;oxalic acid
CID 2922848
N-methyl-3-(2-methyl-5-propan-2-ylphenoxy)propan-1-amine
CID 61036143
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 63497734
1-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-4-pentylpiperazine
CID 67918317
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine?
The IUPAC name of N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine (CID 2276631) is N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine.
What is the SMILES notation for N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine?
The canonical SMILES for N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine is CCCCNCCOCCOc1cc(C(C)C)ccc1C.
What is the InChIKey of N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine?
The InChIKey is NNMWXKQNKSEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-6-9-19-10-11-20-12-13-21-18-14-17(15(2)3)8-7-16(18)4/h7-8,14-15,19H,5-6,9-13H2,1-4H3.
What are the key properties of N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine?
N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]butan-1-amine is sourced from PubChem (CID 2276631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).