N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine

C15H23NO — CID 2934658

IUPACN-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
SMILESC=CCc1ccccc1OCCNC(C)CC
InChIInChI=1S/C15H23NO/c1-4-8-14-9-6-7-10-15(14)17-12-11-16-13(3)5-2/h4,6-7,9-10,13,16H,1,5,8,11-12H2,2-3H3
InChIKeyTXNBJAGOGWASCK-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.18
Rot. Bonds8

About N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine

N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine (PubChem CID 2934658) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
PubChem CID2934658
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
SMILESC=CCc1ccccc1OCCNC(C)CC
InChIInChI=1S/C15H23NO/c1-4-8-14-9-6-7-10-15(14)17-12-11-16-13(3)5-2/h4,6-7,9-10,13,16H,1,5,8,11-12H2,2-3H3
InChIKeyTXNBJAGOGWASCK-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182521
N-[(2R)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182519
(2S)-N-[2-[2-(4-methoxy-2-prop-2-enylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2181758
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
CID 2182681
(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine
CID 2181189
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 2183255
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
6-chloro-5-ethyl-N-[2-(2-prop-2-enylphenoxy)ethyl]pyrimidin-4-amine
CID 13075485
methyl 4-(2-prop-2-enylphenoxy)butanoate
CID 43608103

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine?
The IUPAC name of N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine (CID 2934658) is N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine is C=CCc1ccccc1OCCNC(C)CC.
What is the InChIKey of N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine?
The InChIKey is TXNBJAGOGWASCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-8-14-9-6-7-10-15(14)17-12-11-16-13(3)5-2/h4,6-7,9-10,13,16H,1,5,8,11-12H2,2-3H3.
What are the key properties of N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine?
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 2934658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).