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

C17H27NO — CID 79339603

IUPACN-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine
SMILESCCNCC(=Cc1ccccc1OC(C)C)C(C)C
InChIInChI=1S/C17H27NO/c1-6-18-12-16(13(2)3)11-15-9-7-8-10-17(15)19-14(4)5/h7-11,13-14,18H,6,12H2,1-5H3
InChIKeySYVDKLQODMWSEF-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.12
Rot. Bonds7

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

N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine (PubChem CID 79339603) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine
PubChem CID79339603
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine
SMILESCCNCC(=Cc1ccccc1OC(C)C)C(C)C
InChIInChI=1S/C17H27NO/c1-6-18-12-16(13(2)3)11-15-9-7-8-10-17(15)19-14(4)5/h7-11,13-14,18H,6,12H2,1-5H3
InChIKeySYVDKLQODMWSEF-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

2-[(3-ethoxy-2-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339431
1-(3-bromo-2-methylprop-1-enyl)-2-propan-2-yloxybenzene
CID 79324011
1-(4-methyl-2-nitropent-1-enyl)-2-propan-2-yloxybenzene
CID 76949363
N-ethyl-2-[(2-methoxynaphthalen-1-yl)methylidene]-3-methylbutan-1-amine
CID 79341734
ethyl 3-oxo-2-[(2-propan-2-yloxyphenyl)methylidene]butanoate
CID 70607821
N-methyl-3-(2-propan-2-yloxyphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170814793
1-[2-(chloromethyl)-3-methylbut-1-enyl]-2-methoxybenzene
CID 79334601
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
2-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79323028
N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 79340063
(Z)-2-acetamido-3-(2-propan-2-yloxyphenyl)prop-2-enoic acid
CID 54846652
(2E)-N-ethyl-2-[(6-methoxy-2-pyridinyl)methylidene]-3-methylbutan-1-amine
CID 103348760

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine (CID 79339603) is N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine is CCNCC(=Cc1ccccc1OC(C)C)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine?
The InChIKey is SYVDKLQODMWSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-18-12-16(13(2)3)11-15-9-7-8-10-17(15)19-14(4)5/h7-11,13-14,18H,6,12H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine?
N-ethyl-3-methyl-2-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.12, 7 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-[(2-propan-2-yloxyphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79339603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).