[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine

C15H25NO3 — CID 43254346

IUPAC[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
SMILESCCCCOCCOCCOc1ccc(CN)cc1
InChIInChI=1S/C15H25NO3/c1-2-3-8-17-9-10-18-11-12-19-15-6-4-14(13-16)5-7-15/h4-7H,2-3,8-13,16H2,1H3
InChIKeyMBNUOHPRPKZNBA-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.36
Rot. Bonds11

About [4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine

[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine (PubChem CID 43254346) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
PubChem CID43254346
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
SMILESCCCCOCCOCCOc1ccc(CN)cc1
InChIInChI=1S/C15H25NO3/c1-2-3-8-17-9-10-18-11-12-19-15-6-4-14(13-16)5-7-15/h4-7H,2-3,8-13,16H2,1H3
InChIKeyMBNUOHPRPKZNBA-UHFFFAOYSA-N
XLogP2.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.36
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

[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
(4-decoxyphenyl)methanamine
CID 55187501
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine
CID 62460192

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine (CID 43254346) is [4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine is CCCCOCCOCCOc1ccc(CN)cc1.
What is the InChIKey of [4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine?
The InChIKey is MBNUOHPRPKZNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-3-8-17-9-10-18-11-12-19-15-6-4-14(13-16)5-7-15/h4-7H,2-3,8-13,16H2,1H3.
What are the key properties of [4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine?
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 43254346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).