N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine

C17H27NO — CID 79339427

IUPACN-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
SMILESCCCOc1cccc(C=C(CNCC)C(C)C)c1
InChIInChI=1S/C17H27NO/c1-5-10-19-17-9-7-8-15(12-17)11-16(14(3)4)13-18-6-2/h7-9,11-12,14,18H,5-6,10,13H2,1-4H3
InChIKeyVHFSDCMNZYMECC-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.12
Rot. Bonds8

About N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine

N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine (PubChem CID 79339427) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
PubChem CID79339427
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
SMILESCCCOc1cccc(C=C(CNCC)C(C)C)c1
InChIInChI=1S/C17H27NO/c1-5-10-19-17-9-7-8-15(12-17)11-16(14(3)4)13-18-6-2/h7-9,11-12,14,18H,5-6,10,13H2,1-4H3
InChIKeyVHFSDCMNZYMECC-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine
CID 79340094
(2E)-3-methyl-N-propyl-2-[[3-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 107105341
1-[(Z)-2-nitroprop-1-enyl]-3-propoxybenzene
CID 21160899
1-(2-nitrobut-1-enyl)-3-propoxybenzene
CID 76945194
3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341319
N-(2-methoxyethyl)-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339046
1-[2-(bromomethyl)but-1-enyl]-3-propoxybenzene
CID 79322140
(E)-4-(3-propoxyphenyl)but-3-en-2-ol
CID 103971300
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 79340694
N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine
CID 79341732
2-(ethylamino)-N-(3-propoxyphenyl)acetamide
CID 54820704

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine (CID 79339427) is N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine is CCCOc1cccc(C=C(CNCC)C(C)C)c1.
What is the InChIKey of N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine?
The InChIKey is VHFSDCMNZYMECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-10-19-17-9-7-8-15(12-17)11-16(14(3)4)13-18-6-2/h7-9,11-12,14,18H,5-6,10,13H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine?
N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79339427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).