2-[(4-ethoxyphenyl)methylidene]butan-1-amine

C13H19NO — CID 79322388

IUPAC2-[(4-ethoxyphenyl)methylidene]butan-1-amine
SMILESCCOc1ccc(C=C(CC)CN)cc1
InChIInChI=1S/C13H19NO/c1-3-11(10-14)9-12-5-7-13(8-6-12)15-4-2/h5-9H,3-4,10,14H2,1-2H3
InChIKeyURHIMMGOCUTWQP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds5

About 2-[(4-ethoxyphenyl)methylidene]butan-1-amine

2-[(4-ethoxyphenyl)methylidene]butan-1-amine (PubChem CID 79322388) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylidene]butan-1-amine
PubChem CID79322388
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(4-ethoxyphenyl)methylidene]butan-1-amine
SMILESCCOc1ccc(C=C(CC)CN)cc1
InChIInChI=1S/C13H19NO/c1-3-11(10-14)9-12-5-7-13(8-6-12)15-4-2/h5-9H,3-4,10,14H2,1-2H3
InChIKeyURHIMMGOCUTWQP-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methylidene]butan-1-amine
CID 79321876
2-[(4-bromophenyl)methylidene]butan-1-amine
CID 79323672
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
1-[2-(chloromethyl)but-1-enyl]-4-pentoxybenzene
CID 79334916
3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726253
1-[2-(chloromethyl)-3-methylbut-1-enyl]-4-ethoxybenzene
CID 79334247
2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]butan-1-ol
CID 79334057
4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenol
CID 142764028
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]butan-1-amine
CID 79322613
(Z)-4-(4-ethoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092965
2-methyl-3-(4-pentoxyphenyl)prop-2-en-1-amine
CID 79324202

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylidene]butan-1-amine?
The IUPAC name of 2-[(4-ethoxyphenyl)methylidene]butan-1-amine (CID 79322388) is 2-[(4-ethoxyphenyl)methylidene]butan-1-amine.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylidene]butan-1-amine?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylidene]butan-1-amine is CCOc1ccc(C=C(CC)CN)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylidene]butan-1-amine?
The InChIKey is URHIMMGOCUTWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-11(10-14)9-12-5-7-13(8-6-12)15-4-2/h5-9H,3-4,10,14H2,1-2H3.
What are the key properties of 2-[(4-ethoxyphenyl)methylidene]butan-1-amine?
2-[(4-ethoxyphenyl)methylidene]butan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79322388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).